*HEADER    PEPTIDE HORMONE                         30-SEP-98   1HPY      
*TITLE     THE SOLUTION STRUCTURE OF HUMAN PARATHYROID HORMONE           
*TITLE    2 FRAGMENT 1-34 IN 20% TRIFLUORETHANOL, NMR, 10 STRUCTURES     
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: PARATHYROID HORMONE;                               
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: RESIDUES 1-34;                                     
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   4 ORGANISM_COMMON: HUMAN                                       
*KEYWDS    PEPTIDE HORMONE, SOLUTION STRUCTURE, HUMAN PARATHYROID        
*KEYWDS   2 HORMONE, TRIFLUORETHANOL                                     
*EXPDTA    NMR, 10 STRUCTURES                                            
*AUTHOR    U.C.MARX,P.ROESCH,K.ADERMANN,P.BAYER,W.-G.FORSSMANN           
*REVDAT   1   12-OCT-04 1HPY    0   

REMARK     INPUT DISTANCE RESTRAINTS DERIVED FROM NMR DATA,
REMARK     USED IN STRUCTURE CALCULATIONS OF HUMAN PARATHYROID
REMARK     HORMONE FRAGMENT 1-34
REMARK     DATA FOLLOW X-PLOR 3.1 (A.T.BRUNGER, YALE UNIVERSITY) FORMAT.

!interresidual NOEs
assign (resid 3 and name HN) (resid 4 and name HN)  2.0 0.0 2.0
assign (resid 4 and name HN) (resid 5 and name HN)  2.0 0.0 1.0
assign (resid 6 and name HN) (resid 5 and name HN)  2.0 0.0 2.0
assign (resid 7 and name HN) (resid 6 and name HN)  2.0 0.0 1.0
assign (resid 8 and name HN) (resid 7 and name HN)  2.0 0.0 1.0
assign (resid 10 and name HN) (resid 11 and name HN)  2.0 0.0 2.0
assign (resid 11 and name HN) (resid 12 and name HN)  2.0 0.0 2.0
assign (resid 12 and name HN) (resid 13 and name HN)  2.0 0.0 2.0
assign (resid 13 and name HN) (resid 14 and name HN)  2.0 0.0 3.0
assign (resid 16 and name HN) (resid 15 and name HN)  2.0 0.0 3.0
assign (resid 16 and name HN) (resid 17 and name HN)  2.0 0.0 3.0
assign (resid 17 and name HN) (resid 18 and name HN)  2.0 0.0 3.0
assign (resid 18 and name HN) (resid 19 and name HN)  2.0 0.0 3.0
assign (resid 19 and name HN) (resid 20 and name HN)  2.0 0.0 2.0
assign (resid 20 and name HN) (resid 21 and name HN)  2.0 0.0 1.0
assign (resid 22 and name HN) (resid 21 and name HN)  2.0 0.0 1.0
assign (resid 25 and name HN) (resid 24 and name HN)  2.0 0.0 1.0
assign (resid 25 and name HN) (resid 26 and name HN)  2.0 0.0 1.0
assign (resid 27 and name HN) (resid 26 and name HN)  2.0 0.0 1.0
assign (resid 28 and name HN) (resid 27 and name HN)  2.0 0.0 1.0
assign (resid 28 and name HN) (resid 29 and name HN)  2.0 0.0 1.0
assign (resid 30 and name HN) (resid 29 and name HN)  2.0 0.0 2.0
assign (resid 30 and name HN) (resid 31 and name HN)  2.0 0.0 2.0
assign (resid 32 and name HN) (resid 31 and name HN)  2.0 0.0 2.0
assign (resid 33 and name HN) (resid 34 and name HN)  2.0 0.0 3.0
assign (resid 3 and name HN) (resid 5 and name HN)  2.0 0.0 3.0
assign (resid 7 and name HN) (resid 5 and name HN)  2.0 0.0 3.0
assign (resid 9 and name HN) (resid 7 and name HN)  2.0 0.0 3.0
assign (resid 13 and name HN) (resid 11 and name HN)  2.0 0.0 3.0
assign (resid 19 and name HN) (resid 21 and name HN)  2.0 0.0 3.0
assign (resid 23 and name HN) (resid 25 and name HN)  2.0 0.0 3.0
assign (resid 25 and name HN) (resid 27 and name HN)  2.0 0.0 3.0
assign (resid 8 and name HN) (resid 6 and name HN)  2.0 0.0 3.0
assign (resid 20 and name HN) (resid 18 and name HN)  2.0 0.0 3.0
assign (resid 24 and name HN) (resid 26 and name HN)  2.0 0.0 3.0
assign (resid 30 and name HN) (resid 28 and name HN)  2.0 0.0 3.0
assign (resid 32 and name HN) (resid 30 and name HN)  2.0 0.0 3.0
assign (resid 3 and name HN) (resid 2 and name HA)  2.0 0.0 1.0
assign (resid 4 and name HN) (resid 3 and name HA)  2.0 0.0 1.0
assign (resid 5 and name HN) (resid 4 and name HA)  2.0 0.0 2.0
assign (resid 6 and name HN) (resid 5 and name HA)  2.0 0.0 2.0
assign (resid 8 and name HN) (resid 7 and name HA)  2.0 0.0 2.0
assign (resid 9 and name HN) (resid 8 and name HA)  2.0 0.0 3.0
assign (resid 10 and name HN) (resid 9 and name HA)  2.0 0.0 2.0
assign (resid 11 and name HN) (resid 10 and name HA)  2.0 0.0 3.0
assign (resid 12 and name HN) (resid 11 and name HA)  2.0 0.0 2.0
assign (resid 13 and name HN) (resid 12 and name HA2)  2.0 0.0 2.0
assign (resid 13 and name HN) (resid 12 and name HA1)  2.0 0.0 2.0
assign (resid 16 and name HN) (resid 15 and name HA)  2.0 0.0 2.0
assign (resid 17 and name HN) (resid 16 and name HA)  2.0 0.0 3.0
assign (resid 19 and name HN) (resid 18 and name HA)  2.0 0.0 2.0
assign (resid 20 and name HN) (resid 19 and name HA)  2.0 0.0 2.0
assign (resid 21 and name HN) (resid 20 and name HA)  2.0 0.0 2.0
assign (resid 22 and name HN) (resid 21 and name HA)  2.0 0.0 2.0
assign (resid 24 and name HN) (resid 23 and name HA)  2.0 0.0 2.0
assign (resid 26 and name HN) (resid 25 and name HA)  2.0 0.0 2.0
assign (resid 27 and name HN) (resid 26 and name HA)  2.0 0.0 2.0
assign (resid 28 and name HN) (resid 27 and name HA)  2.0 0.0 2.0
assign (resid 29 and name HN) (resid 28 and name HA)  2.0 0.0 2.0
assign (resid 30 and name HN) (resid 29 and name HA)  2.0 0.0 1.0
assign (resid 31 and name HN) (resid 30 and name HA)  2.0 0.0 1.0
assign (resid 32 and name HN) (resid 31 and name HA)  2.0 0.0 1.0
assign (resid 33 and name HN) (resid 32 and name HA)  2.0 0.0 3.0
assign (resid 34 and name HN) (resid 33 and name HA)  2.0 0.0 3.0
assign (resid 5 and name HN) (resid 2 and name HA)  2.0 0.0 3.0
assign (resid 8 and name HN) (resid 5 and name HA)  2.0 0.0 2.0
assign (resid 14 and name HN) (resid 11 and name HA)  2.0 0.0 3.0
assign (resid 17 and name HN) (resid 14 and name HA)  2.0 0.0 3.0
assign (resid 20 and name HN) (resid 17 and name HA)  2.0 0.0 3.0
assign (resid 26 and name HN) (resid 23 and name HA)  2.0 0.0 2.0
assign (resid 6 and name HN) (resid 3 and name HA)  2.0 0.0 2.0
assign (resid 9 and name HN) (resid 6 and name HA)  2.0 0.0 3.0
assign (resid 12 and name HN) (resid 9 and name HA)  2.0 0.0 3.0
assign (resid 21 and name HN) (resid 18 and name HA)  2.0 0.0 2.0
assign (resid 27 and name HN) (resid 24 and name HA)  2.0 0.0 2.0
assign (resid 30 and name HN) (resid 27 and name HA)  2.0 0.0 2.0
assign (resid 13 and name HN) (resid 10 and name HA)  2.0 0.0 3.0
assign (resid 25 and name HN) (resid 22 and name HA)  2.0 0.0 2.0
assign (resid 28 and name HN) (resid 25 and name HA)  2.0 0.0 2.0
assign (resid 14 and name HN) (resid 12 and name HA2)  2.0 0.0 3.0
assign (resid 14 and name HN) (resid 12 and name HA1)  2.0 0.0 3.0
assign (resid 28 and name HN) (resid 26 and name HA)  2.0 0.0 3.0
assign (resid 23 and name HN) (resid 20 and name HA)  2.0 0.0 2.0
assign (resid 12 and name HN) (resid 10 and name HA)  2.0 0.0 3.0
assign (resid 5 and name HN) (resid 3 and name HA)  2.0 0.0 2.0
assign (resid 7 and name HN) (resid 5 and name HA)  2.0 0.0 3.0
assign (resid 21 and name HN) (resid 19 and name HA)  2.0 0.0 3.0
assign (resid 9 and name HN) (resid 5 and name HA)  2.0 0.0 3.0
assign (resid 29 and name HN) (resid 25 and name HA)  2.0 0.0 3.0
assign (resid 22 and name HN) (resid 18 and name HA)  2.0 0.0 3.0
assign (resid 26 and name HN) (resid 22 and name HA)  2.0 0.0 3.0
assign (resid 27 and name HN) (resid 23 and name HA)  2.0 0.0 3.0
assign (resid 8 and name HN) (resid 4 and name HA)  2.0 0.0 3.0
assign (resid 4 and name HN) (resid 3 and name HB2)  2.0 0.0 3.0
assign (resid 18 and name HN) (resid 17 and name HB2)  2.0 0.0 3.0
assign (resid 18 and name HN) (resid 17 and name HB1)  2.0 0.0 2.0
assign (resid 24 and name HN) (resid 23 and name HB2)  2.0 0.0 2.0
assign (resid 24 and name HN) (resid 23 and name HB1)  2.0 0.0 2.0
assign (resid 10 and name HN) (resid 9 and name HB*)  2.0 0.0 1.5
assign (resid 11 and name HN) (resid 10 and name HB2)  2.0 0.0 2.0
assign (resid 11 and name HN) (resid 10 and name HB1)  2.0 0.0 2.0
assign (resid 17 and name HN) (resid 16 and name HB2)  2.0 0.0 2.0
assign (resid 17 and name HN) (resid 16 and name HB1)  2.0 0.0 2.0
assign (resid 34 and name HN) (resid 33 and name HB2)  2.0 0.0 3.0
assign (resid 34 and name HN) (resid 33 and name HB1)  2.0 0.0 3.0
assign (resid 31 and name HN) (resid 30 and name HB2)  2.0 0.0 2.0
assign (resid 31 and name HN) (resid 30 and name HB1)  2.0 0.0 2.0
assign (resid 5 and name HN) (resid 4 and name HG*)  2.0 0.0 3.5
assign (resid 5 and name HN) (resid 4 and name HB1)  2.0 0.0 2.0
assign (resid 5 and name HN) (resid 4 and name HB2)  2.0 0.0 2.0
assign (resid 30 and name HN) (resid 29 and name HB*)  2.0 0.0 1.5
assign (resid 30 and name HN) (resid 29 and name HG2)  2.0 0.0 3.0
assign (resid 30 and name HN) (resid 29 and name HG1)  2.0 0.0 3.0
assign (resid 20 and name HN) (resid 19 and name HG2)  2.0 0.0 3.0
assign (resid 20 and name HN) (resid 19 and name HG1)  2.0 0.0 3.0
assign (resid 20 and name HN) (resid 19 and name HB2)  2.0 0.0 3.0
assign (resid 20 and name HN) (resid 19 and name HB1)  2.0 0.0 2.0
assign (resid 7 and name HN) (resid 6 and name HB2)  2.0 0.0 2.0
assign (resid 7 and name HN) (resid 6 and name HB1)  2.0 0.0 2.0
assign (resid 22 and name HN) (resid 21 and name HB)  2.0 0.0 2.0
assign (resid 9 and name HN) (resid 8 and name HG2)  2.0 0.0 3.0
assign (resid 28 and name HN) (resid 29 and name HB*)  2.0 0.0 3.5
assign (resid 32 and name HN) (resid 31 and name HB*)  2.0 0.0 2.5
assign (resid 9 and name HN) (resid 8 and name HB2)  2.0 0.0 3.0
assign (resid 9 and name HN) (resid 8 and name HB1)  2.0 0.0 2.0
assign (resid 3 and name HN) (resid 6 and name HB1)  2.0 0.0 3.0
assign (resid 21 and name HN) (resid 20 and name HB*)  2.0 0.0 1.5
assign (resid 6 and name HN) (resid 5 and name HB)  2.0 0.0 1.0
assign (resid 27 and name HN) (resid 26 and name HB*)  2.0 0.0 1.5
assign (resid 29 and name HN) (resid 28 and name HB*)  2.0 0.0 2.5
assign (resid 17 and name HN) (resid 20 and name HB*)  2.0 0.0 3.5
assign (resid 8 and name HN) (resid 7 and name HB*)  2.0 0.0 1.5
assign (resid 3 and name HN) (resid 2 and name HB)  2.0 0.0 2.0
assign (resid 8 and name HN) (resid 7 and name HG)  2.0 0.0 3.0
assign (resid 28 and name HN) (resid 27 and name HB1)  2.0 0.0 2.0
assign (resid 12 and name HN) (resid 11 and name HG)  2.0 0.0 2.0
assign (resid 29 and name HN) (resid 28 and name HG)  2.0 0.0 2.0
assign (resid 20 and name HN) (resid 21 and name HG1*)  2.0 0.0 2.5
assign (resid 25 and name HN) (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 25 and name HN) (resid 24 and name HD*)  2.0 0.0 2.5
assign (resid 22 and name HN) (resid 21 and name HG1*)  2.0 0.0 2.5
assign (resid 22 and name HN) (resid 21 and name HG2*)  2.0 0.0 2.5
assign (resid 3 and name HN) (resid 2 and name HG*)  2.0 0.0 2.5
assign (resid 8 and name HN) (resid 7 and name HD*)  2.0 0.0 2.5
assign (resid 32 and name HE1) (resid 28 and name HD*)  2.0 0.0 3.5
assign (resid 12 and name HN) (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 29 and name HN) (resid 28 and name HD*)  2.0 0.0 3.5
assign (resid 24 and name HN) (resid 23 and name HE3)  2.0 0.0 2.0
assign (resid 24 and name HN) (resid 23 and name HD1)  2.0 0.0 3.0
assign (resid 23 and name HE1) (resid 27 and name HE2)  2.0 0.0 3.0
assign (resid 23 and name HZ3) (resid 24 and name HD*)  2.0 0.0 1.5
assign (resid 23 and name HD1) (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 23 and name HE3) (resid 24 and name HD*)  2.0 0.0 1.5
assign (resid 23 and name HH2) (resid 24 and name HD*)  2.0 0.0 3.5
assign (resid 14 and name HD2) (resid 11 and name HD*)  2.0 0.0 2.5
assign (resid 32 and name HD2) (resid 31 and name HG2*)  2.0 0.0 3.5
assign (resid 32 and name HD2) (resid 31 and name HG1*)  2.0 0.0 3.5
assign (resid 23 and name HZ3) (resid 24 and name HB*)  2.0 0.0 3.5
assign (resid 23 and name HE3) (resid 24 and name HB*)  2.0 0.0 1.5
assign (resid 23 and name HZ2) (resid 27 and name HE2)  2.0 0.0 3.0
assign (resid 23 and name HZ2) (resid 27 and name HE1)  2.0 0.0 3.0
assign (resid 23 and name HE3) (resid 24 and name HA)  2.0 0.0 1.0
assign (resid 23 and name HZ3) (resid 24 and name HA)  2.0 0.0 2.0
assign (resid 32 and name HD2) (resid 31 and name HA)  2.0 0.0 3.0
assign (resid 10 and name HD21) (resid 7 and name HA)  2.0 0.0 3.0
assign (resid 10 and name HD22) (resid 7 and name HA)  2.0 0.0 3.0
assign (resid 14 and name HD2) (resid 11 and name HA)  2.0 0.0 2.0
assign (resid 9 and name HD2) (resid 10 and name HA)  2.0 0.0 3.0
assign (resid 20 and name HA) (resid 23 and name HB2)  2.0 0.0 2.0
assign (resid 20 and name HA) (resid 23 and name HB1)  2.0 0.0 2.0
assign (resid 6 and name HA) (resid 9 and name HB*)  2.0 0.0 1.5
assign (resid 11 and name HA) (resid 14 and name HB1)  2.0 0.0 2.0
assign (resid 11 and name HA) (resid 14 and name HB2)  2.0 0.0 2.0
assign (resid 22 and name HA) (resid 25 and name HD2)  2.0 0.0 3.0
assign (resid 22 and name HA) (resid 25 and name HD1)  2.0 0.0 3.0
assign (resid 23 and name HA) (resid 26 and name HE*)  2.0 0.0 3.5
assign (resid 7 and name HA) (resid 10 and name HB2)  2.0 0.0 2.0
assign (resid 7 and name HA) (resid 10 and name HB1)  2.0 0.0 2.0
assign (resid 5 and name HA) (resid 8 and name HG2)  2.0 0.0 3.0
assign (resid 5 and name HA) (resid 8 and name HG1)  2.0 0.0 3.0
assign (resid 26 and name HA) (resid 29 and name HG1)  2.0 0.0 3.0
assign (resid 26 and name HA) (resid 29 and name HG2)  2.0 0.0 2.0
assign (resid 5 and name HA) (resid 8 and name HB1)  2.0 0.0 2.0
assign (resid 5 and name HA) (resid 8 and name HB2)  2.0 0.0 2.0
assign (resid 18 and name HA) (resid 21 and name HB)  2.0 0.0 1.0
assign (resid 3 and name HA) (resid 6 and name HB2)  2.0 0.0 2.0
assign (resid 3 and name HA) (resid 6 and name HB1)  2.0 0.0 2.0
assign (resid 17 and name HA) (resid 20 and name HB*)  2.0 0.0 2.5
assign (resid 21 and name HA) (resid 20 and name HB*)  2.0 0.0 2.5
assign (resid 21 and name HA) (resid 24 and name HB*)  2.0 0.0 1.5
assign (resid 10 and name HA) (resid 13 and name HB*)  2.0 0.0 2.5
assign (resid 10 and name HA) (resid 13 and name HD*)  2.0 0.0 3.5
assign (resid 10 and name HA) (resid 13 and name HG*)  2.0 0.0 3.5
assign (resid 24 and name HA) (resid 27 and name HB2)  2.0 0.0 1.0
assign (resid 24 and name HA) (resid 27 and name HB1)  2.0 0.0 2.0
assign (resid 4 and name HA) (resid 7 and name HB*)  2.0 0.0 1.5
assign (resid 22 and name HA) (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 20 and name HA) (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 18 and name HA) (resid 21 and name HG1*)  2.0 0.0 1.5
assign (resid 22 and name HA) (resid 21 and name HG2*)  2.0 0.0 3.5
assign (resid 18 and name HA) (resid 21 and name HG2*)  2.0 0.0 2.5
assign (resid 3 and name HA) (resid 2 and name HG*)  2.0 0.0 3.5
assign (resid 24 and name HA) (resid 27 and name HG1)  2.0 0.0 3.0
assign (resid 21 and name HA) (resid 24 and name HD*)  2.0 0.0 2.5
assign (resid 25 and name HA) (resid 28 and name HD*)  2.0 0.0 2.5
assign (resid 12 and name HA1) (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 12 and name HA2) (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 2 and name HA) (resid 5 and name HB)  2.0 0.0 2.0
assign (resid 22 and name HA) (resid 25 and name HB*)  2.0 0.0 1.5
assign (resid 14 and name HA) (resid 17 and name HB2)  2.0 0.0 3.0
assign (resid 23 and name HA) (resid 26 and name HB*)  2.0 0.0 2.5
assign (resid 26 and name HA) (resid 29 and name HB*)  2.0 0.0 2.5
assign (resid 14 and name HB1) (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 14 and name HB2) (resid 15 and name HD*)  2.0 0.0 3.5
assign (resid 20 and name HG1) (resid 21 and name HG1*)  2.0 0.0 3.5
assign (resid 20 and name HB*) (resid 21 and name HG1*)  2.0 0.0 2.5
assign (resid 25 and name HB*) (resid 21 and name HG2*)  2.0 0.0 3.5
assign (resid 22 and name HG*) (resid 21 and name HG2*)  2.0 0.0 3.5
assign (resid 19 and name HB2) (resid 15 and name HD*)  2.0 0.0 3.5

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    SER   1           HT1      SER   1  26.909  -1.661  -1.661
    2   2H    SER   1           HT3      SER   1  28.185  -0.591  -0.591
    3   3H    SER   1           HT2      SER   1  27.151  -0.297  -0.297
    4    HA   SER   1           HA       SER   1  26.602   1.182   1.182
    5   1HB   SER   1           HB2      SER   1  26.224  -1.414  -1.414
    6   2HB   SER   1           HB1      SER   1  25.685   0.161   0.161
    7    HG   SER   1           HG       SER   1  27.732  -0.258  -0.258
    8    H    VAL   2           HN       VAL   2  24.549   1.990   1.990
    9    HA   VAL   2           HA       VAL   2  22.365   0.077   0.077
   10    HB   VAL   2           HB       VAL   2  23.167   1.151   1.151
   11   1HG1  VAL   2          HG12      VAL   2  24.046   3.245   3.245
   12   2HG1  VAL   2          HG11      VAL   2  22.380   3.803   3.803
   13   3HG1  VAL   2          HG13      VAL   2  23.084   3.545   3.545
   14   1HG2  VAL   2          HG22      VAL   2  20.686   0.714   0.714
   15   2HG2  VAL   2          HG21      VAL   2  21.058   1.847   1.847
   16   3HG2  VAL   2          HG23      VAL   2  20.539   2.449   2.449
   17    H    SER   3           HN       SER   3  20.414   0.453   0.453
   18    HA   SER   3           HA       SER   3  19.663   2.969   2.969
   19   1HB   SER   3           HB2      SER   3  19.394   1.995   1.995
   20   2HB   SER   3           HB1      SER   3  21.043   2.357   2.357
   21    HG   SER   3           HG       SER   3  20.718   0.234   0.234
   22    H    GLU   4           HN       GLU   4  18.963  -0.427  -0.427
   23    HA   GLU   4           HA       GLU   4  16.100  -0.131  -0.131
   24   1HB   GLU   4           HB2      GLU   4  17.624  -2.173  -2.173
   25   2HB   GLU   4           HB1      GLU   4  17.428  -2.629  -2.629
   26   1HG   GLU   4           HG2      GLU   4  14.992  -1.933  -1.933
   27   2HG   GLU   4           HG1      GLU   4  15.729  -3.519  -3.519
   28    H    ILE   5           HN       ILE   5  18.359  -0.445  -0.445
   29    HA   ILE   5           HA       ILE   5  16.293  -0.954  -0.954
   30    HB   ILE   5           HB       ILE   5  19.120   0.105   0.105
   31   1HG1  ILE   5          HG12      ILE   5  19.281  -2.028  -2.028
   32   2HG1  ILE   5          HG11      ILE   5  19.667  -2.297  -2.297
   33   1HG2  ILE   5          HG23      ILE   5  17.088  -1.119  -1.119
   34   2HG2  ILE   5          HG22      ILE   5  18.802  -1.000  -1.000
   35   3HG2  ILE   5          HG21      ILE   5  17.858   0.463   0.463
   36   1HD1  ILE   5          HD12      ILE   5  17.172  -2.925  -2.925
   37   2HD1  ILE   5          HD11      ILE   5  17.130  -3.021  -3.021
   38   3HD1  ILE   5          HD13      ILE   5  18.203  -4.078  -4.078
   39    H    GLN   6           HN       GLN   6  18.086   1.948   1.948
   40    HA   GLN   6           HA       GLN   6  16.870   3.831   3.831
   41   1HB   GLN   6           HB2      GLN   6  18.898   4.324   4.324
   42   2HB   GLN   6           HB1      GLN   6  17.890   4.309   4.309
   43   1HG   GLN   6           HG2      GLN   6  16.747   6.057   6.057
   44   2HG   GLN   6           HG1      GLN   6  18.412   6.516   6.516
   45   1HE2  GLN   6          HE21      GLN   6  18.673   7.833   7.833
   46   2HE2  GLN   6          HE22      GLN   6  17.542   7.967   7.967
   47    H    LEU   7           HN       LEU   7  16.005   2.760   2.760
   48    HA   LEU   7           HA       LEU   7  13.628   4.340   4.340
   49   1HB   LEU   7           HB2      LEU   7  14.748   3.197   3.197
   50   2HB   LEU   7           HB1      LEU   7  14.367   1.629   1.629
   51    HG   LEU   7           HG       LEU   7  12.032   3.417   3.417
   52   1HD1  LEU   7          HD12      LEU   7  13.519   2.235   2.235
   53   2HD1  LEU   7          HD11      LEU   7  11.914   2.961   2.961
   54   3HD1  LEU   7          HD13      LEU   7  13.314   3.954   3.954
   55   1HD2  LEU   7          HD23      LEU   7  12.703   0.514   0.514
   56   2HD2  LEU   7          HD22      LEU   7  11.693   1.137   1.137
   57   3HD2  LEU   7          HD21      LEU   7  11.135   1.235   1.235
   58    H    MET   8           HN       MET   8  14.140   1.017   1.017
   59    HA   MET   8           HA       MET   8  11.434   0.307   0.307
   60   1HB   MET   8           HB2      MET   8  13.545  -1.160  -1.160
   61   2HB   MET   8           HB1      MET   8  13.771  -0.485  -0.485
   62   1HG   MET   8           HG2      MET   8  11.350  -1.225  -1.225
   63   2HG   MET   8           HG1      MET   8  11.485  -2.183  -2.183
   64   1HE   MET   8           HE2      MET   8  12.945  -4.009  -4.009
   65   2HE   MET   8           HE1      MET   8  14.481  -3.236  -3.236
   66   3HE   MET   8           HE3      MET   8  14.077  -4.807  -4.807
   67    H    HIS   9           HN       HIS   9  13.809   1.998   1.998
   68    HA   HIS   9           HA       HIS   9  12.084   2.316   2.316
   69   1HB   HIS   9           HB2      HIS   9  14.598   2.643   2.643
   70   2HB   HIS   9           HB1      HIS   9  14.336   4.171   4.171
   71    HD1  HIS   9           HD1      HIS   9  13.077   2.472   2.472
   72    HD2  HIS   9           HD2      HIS   9  14.035   6.267   6.267
   73    HE1  HIS   9           HE1      HIS   9  12.762   4.070   4.070
   74    H    ASN  10           HN       ASN  10  12.743   4.433   4.433
   75    HA   ASN  10           HA       ASN  10  11.025   6.598   6.598
   76   1HB   ASN  10           HB2      ASN  10  12.229   5.714   5.714
   77   2HB   ASN  10           HB1      ASN  10  11.039   7.014   7.014
   78   1HD2  ASN  10          HD21      ASN  10  14.360   6.440   6.440
   79   2HD2  ASN  10          HD22      ASN  10  14.804   7.873   7.873
   80    H    LEU  11           HN       LEU  11  10.444   3.635   3.635
   81    HA   LEU  11           HA       LEU  11   7.762   4.255   4.255
   82   1HB   LEU  11           HB2      LEU  11   9.260   2.414   2.414
   83   2HB   LEU  11           HB1      LEU  11   8.851   1.471   1.471
   84    HG   LEU  11           HG       LEU  11   6.410   1.814   1.814
   85   1HD1  LEU  11          HD12      LEU  11   7.684   2.970   2.970
   86   2HD1  LEU  11          HD11      LEU  11   6.026   2.366   2.366
   87   3HD1  LEU  11          HD13      LEU  11   6.486   3.725   3.725
   88   1HD2  LEU  11          HD21      LEU  11   8.162   0.401   0.401
   89   2HD2  LEU  11          HD23      LEU  11   7.570  -0.284  -0.284
   90   3HD2  LEU  11          HD22      LEU  11   6.435   0.116   0.116
   91    H    GLY  12           HN       GLY  12   9.042   2.557   2.557
   92   1HA   GLY  12           HA2      GLY  12   6.694   1.635   1.635
   93   2HA   GLY  12           HA1      GLY  12   8.076   2.226   2.226
   94    H    LYS  13           HN       LYS  13   7.964   4.998   4.998
   95    HA   LYS  13           HA       LYS  13   5.934   6.103   6.103
   96   1HB   LYS  13           HB2      LYS  13   7.660   7.384   7.384
   97   2HB   LYS  13           HB1      LYS  13   6.584   8.298   8.298
   98   1HG   LYS  13           HG2      LYS  13   7.791   7.528   7.528
   99   2HG   LYS  13           HG1      LYS  13   8.812   6.486   6.486
  100   1HD   LYS  13           HD2      LYS  13   8.681   9.454   9.454
  101   2HD   LYS  13           HD1      LYS  13   9.741   8.816   8.816
  102   1HE   LYS  13           HE2      LYS  13   9.787   7.709   7.709
  103   2HE   LYS  13           HE1      LYS  13  10.746   9.116   9.116
  104   1HZ   LYS  13           HZ3      LYS  13  11.629   7.683   7.683
  105   2HZ   LYS  13           HZ2      LYS  13  10.932   6.358   6.358
  106   3HZ   LYS  13           HZ1      LYS  13  12.142   7.277   7.277
  107    H    HIS  14           HN       HIS  14   6.179   5.549   5.549
  108    HA   HIS  14           HA       HIS  14   3.642   6.779   6.779
  109   1HB   HIS  14           HB2      HIS  14   5.449   4.772   4.772
  110   2HB   HIS  14           HB1      HIS  14   4.067   5.541   5.541
  111    HD1  HIS  14           HD1      HIS  14   4.525   8.465   8.465
  112    HD2  HIS  14           HD2      HIS  14   7.536   6.019   6.019
  113    HE1  HIS  14           HE1      HIS  14   6.366  10.010  10.010
  114    H    LEU  15           HN       LEU  15   4.191   3.909   3.909
  115    HA   LEU  15           HA       LEU  15   2.351   2.165   2.165
  116   1HB   LEU  15           HB2      LEU  15   3.995   2.006   2.006
  117   2HB   LEU  15           HB1      LEU  15   2.536   1.032   1.032
  118    HG   LEU  15           HG       LEU  15   4.564  -0.181  -0.181
  119   1HD1  LEU  15          HD12      LEU  15   2.159   0.210   0.210
  120   2HD1  LEU  15          HD11      LEU  15   3.401  -0.974  -0.974
  121   3HD1  LEU  15          HD13      LEU  15   2.486  -1.103  -1.103
  122   1HD2  LEU  15          HD21      LEU  15   4.402   1.988   1.988
  123   2HD2  LEU  15          HD23      LEU  15   5.815   1.355   1.355
  124   3HD2  LEU  15          HD22      LEU  15   5.037   0.399   0.399
  125    H    ASN  16           HN       ASN  16   0.849   4.270   4.270
  126    HA   ASN  16           HA       ASN  16  -1.324   3.660   3.660
  127   1HB   ASN  16           HB2      ASN  16  -0.257   6.443   6.443
  128   2HB   ASN  16           HB1      ASN  16  -1.732   6.109   6.109
  129   1HD2  ASN  16          HD21      ASN  16  -1.463   4.950   4.950
  130   2HD2  ASN  16          HD22      ASN  16   0.021   5.056   5.056
  131    H    SER  17           HN       SER  17  -0.357   5.497   5.497
  132    HA   SER  17           HA       SER  17  -3.121   5.109   5.109
  133   1HB   SER  17           HB2      SER  17  -1.054   7.267   7.267
  134   2HB   SER  17           HB1      SER  17  -2.258   7.016   7.016
  135    HG   SER  17           HG       SER  17  -2.564   7.901   7.901
  136    H    MET  18           HN       MET  18  -3.416   4.323   4.323
  137    HA   MET  18           HA       MET  18  -3.082   3.174   3.174
  138   1HB   MET  18           HB2      MET  18  -1.401   5.117   5.117
  139   2HB   MET  18           HB1      MET  18  -0.150   3.940   3.940
  140   1HG   MET  18           HG2      MET  18  -1.227   2.438   2.438
  141   2HG   MET  18           HG1      MET  18  -2.102   3.882   3.882
  142   1HE   MET  18           HE1      MET  18   0.724   1.726   1.726
  143   2HE   MET  18           HE3      MET  18   2.165   2.675   2.675
  144   3HE   MET  18           HE2      MET  18   1.586   2.589   2.589
  145    H    GLU  19           HN       GLU  19  -2.953   0.956   0.956
  146    HA   GLU  19           HA       GLU  19  -2.245  -1.281  -1.281
  147   1HB   GLU  19           HB2      GLU  19   0.247  -0.289  -0.289
  148   2HB   GLU  19           HB1      GLU  19  -0.015  -1.865  -1.865
  149   1HG   GLU  19           HG2      GLU  19  -0.380  -0.489  -0.489
  150   2HG   GLU  19           HG1      GLU  19   0.475   0.786   0.786
  151    H    ARG  20           HN       ARG  20  -1.209   0.568   0.568
  152    HA   ARG  20           HA       ARG  20  -2.049  -1.147  -1.147
  153   1HB   ARG  20           HB2      ARG  20  -1.876   1.884   1.884
  154   2HB   ARG  20           HB1      ARG  20  -1.808   0.937   0.937
  155   1HG   ARG  20           HG2      ARG  20   0.425   0.598   0.598
  156   2HG   ARG  20           HG1      ARG  20   0.100  -0.091  -0.091
  157   1HD   ARG  20           HD2      ARG  20  -0.139   2.377   2.377
  158   2HD   ARG  20           HD1      ARG  20   0.724   2.753   2.753
  159    HE   ARG  20           HE       ARG  20   2.476   1.041   1.041
  160   1HH1  ARG  20          HH21      ARG  20   2.273   4.043   4.043
  161   2HH1  ARG  20          HH22      ARG  20   2.606   3.815   3.815
  162   1HH2  ARG  20          HH11      ARG  20   2.184   0.363   0.363
  163   2HH2  ARG  20          HH12      ARG  20   2.549   1.719   1.719
  164    H    VAL  21           HN       VAL  21  -3.433   1.725   1.725
  165    HA   VAL  21           HA       VAL  21  -5.843   2.287   2.287
  166    HB   VAL  21           HB       VAL  21  -4.984   3.493   3.493
  167   1HG1  VAL  21          HG12      VAL  21  -3.828   1.489   1.489
  168   2HG1  VAL  21          HG11      VAL  21  -5.355   0.962   0.962
  169   3HG1  VAL  21          HG13      VAL  21  -4.620   2.461   2.461
  170   1HG2  VAL  21          HG23      VAL  21  -7.562   3.194   3.194
  171   2HG2  VAL  21          HG22      VAL  21  -6.891   3.716   3.716
  172   3HG2  VAL  21          HG21      VAL  21  -7.362   2.033   2.033
  173    H    GLU  22           HN       GLU  22  -5.335  -0.504  -0.504
  174    HA   GLU  22           HA       GLU  22  -8.104  -1.207  -1.207
  175   1HB   GLU  22           HB2      GLU  22  -5.593  -2.346  -2.346
  176   2HB   GLU  22           HB1      GLU  22  -6.624  -3.619  -3.619
  177   1HG   GLU  22           HG2      GLU  22  -7.832  -1.577  -1.577
  178   2HG   GLU  22           HG1      GLU  22  -6.874  -2.886  -2.886
  179    H    TRP  23           HN       TRP  23  -5.748  -2.004  -2.004
  180    HA   TRP  23           HA       TRP  23  -7.130  -4.042  -4.042
  181   1HB   TRP  23           HB2      TRP  23  -4.807  -3.197  -3.197
  182   2HB   TRP  23           HB1      TRP  23  -5.478  -1.675  -1.675
  183    HD1  TRP  23           HD1      TRP  23  -4.427  -4.848  -4.848
  184    HE1  TRP  23           HE1      TRP  23  -5.073  -5.433  -5.433
  185    HE3  TRP  23           HE3      TRP  23  -7.713  -1.144  -1.144
  186    HZ2  TRP  23           HZ2      TRP  23  -6.784  -4.379  -4.379
  187    HZ3  TRP  23           HZ3      TRP  23  -8.838  -0.907  -0.907
  188    HH2  TRP  23           HH2      TRP  23  -8.381  -2.514  -2.514
  189    H    LEU  24           HN       LEU  24  -7.114  -0.562  -0.562
  190    HA   LEU  24           HA       LEU  24  -9.250  -0.245  -0.245
  191   1HB   LEU  24           HB2      LEU  24  -7.940   1.711   1.711
  192   2HB   LEU  24           HB1      LEU  24  -9.067   2.180   2.180
  193    HG   LEU  24           HG       LEU  24  -6.839   2.636   2.636
  194   1HD1  LEU  24          HD11      LEU  24  -8.465   0.581   0.581
  195   2HD1  LEU  24          HD13      LEU  24  -6.769   0.480   0.480
  196   3HD1  LEU  24          HD12      LEU  24  -7.662   1.978   1.978
  197   1HD2  LEU  24          HD21      LEU  24  -5.799   0.853   0.853
  198   2HD2  LEU  24          HD23      LEU  24  -5.001   1.162   1.162
  199   3HD2  LEU  24          HD22      LEU  24  -6.022  -0.259  -0.259
  200    H    ARG  25           HN       ARG  25  -8.998   0.284   0.284
  201    HA   ARG  25           HA       ARG  25 -11.671   1.096   1.096
  202   1HB   ARG  25           HB2      ARG  25  -9.712   1.084   1.084
  203   2HB   ARG  25           HB1      ARG  25  -9.927  -0.655  -0.655
  204   1HG   ARG  25           HG2      ARG  25 -12.369   0.992   0.992
  205   2HG   ARG  25           HG1      ARG  25 -11.117   1.156   1.156
  206   1HD   ARG  25           HD2      ARG  25 -11.868  -1.600  -1.600
  207   2HD   ARG  25           HD1      ARG  25 -12.955  -0.749  -0.749
  208    HE   ARG  25           HE       ARG  25 -10.137  -0.812  -0.812
  209   1HH1  ARG  25          HH11      ARG  25 -11.558  -3.587  -3.587
  210   2HH1  ARG  25          HH12      ARG  25 -12.035  -3.851  -3.851
  211   1HH2  ARG  25          HH21      ARG  25 -11.503  -0.539  -0.539
  212   2HH2  ARG  25          HH22      ARG  25 -12.007  -2.109  -2.109
  213    H    LYS  26           HN       LYS  26 -10.321  -2.231  -2.231
  214    HA   LYS  26           HA       LYS  26 -12.920  -3.482  -3.482
  215   1HB   LYS  26           HB2      LYS  26 -10.329  -4.325  -4.325
  216   2HB   LYS  26           HB1      LYS  26 -10.779  -5.114  -5.114
  217   1HG   LYS  26           HG2      LYS  26 -12.117  -6.596  -6.596
  218   2HG   LYS  26           HG1      LYS  26 -12.886  -5.329  -5.329
  219   1HD   LYS  26           HD2      LYS  26 -11.755  -6.797  -6.797
  220   2HD   LYS  26           HD1      LYS  26 -10.833  -5.300  -5.300
  221   1HE   LYS  26           HE2      LYS  26  -9.925  -7.162  -7.162
  222   2HE   LYS  26           HE1      LYS  26  -9.858  -7.905  -7.905
  223   1HZ   LYS  26           HZ2      LYS  26  -8.722  -5.229  -5.229
  224   2HZ   LYS  26           HZ1      LYS  26  -7.821  -6.668  -6.668
  225   3HZ   LYS  26           HZ3      LYS  26  -8.539  -6.104  -6.104
  226    H    LYS  27           HN       LYS  27 -11.179  -2.393  -2.393
  227    HA   LYS  27           HA       LYS  27 -12.476  -4.066  -4.066
  228   1HB   LYS  27           HB2      LYS  27 -10.551  -2.032  -2.032
  229   2HB   LYS  27           HB1      LYS  27 -11.919  -1.374  -1.374
  230   1HG   LYS  27           HG2      LYS  27 -10.547  -2.599  -2.599
  231   2HG   LYS  27           HG1      LYS  27 -12.018  -3.526  -3.526
  232   1HD   LYS  27           HD2      LYS  27 -10.324  -4.474  -4.474
  233   2HD   LYS  27           HD1      LYS  27  -9.234  -4.225  -4.225
  234   1HE   LYS  27           HE2      LYS  27 -10.011  -6.425  -6.425
  235   2HE   LYS  27           HE1      LYS  27 -11.020  -5.471  -5.471
  236   1HZ   LYS  27           HZ3      LYS  27 -11.833  -6.198  -6.198
  237   2HZ   LYS  27           HZ2      LYS  27 -12.254  -7.109  -7.109
  238   3HZ   LYS  27           HZ1      LYS  27 -12.804  -5.511  -5.511
  239    H    LEU  28           HN       LEU  28 -13.331  -0.818  -0.818
  240    HA   LEU  28           HA       LEU  28 -15.801  -0.663  -0.663
  241   1HB   LEU  28           HB2      LEU  28 -16.375   1.256   1.256
  242   2HB   LEU  28           HB1      LEU  28 -14.673   1.365   1.365
  243    HG   LEU  28           HG       LEU  28 -14.633  -0.055  -0.055
  244   1HD1  LEU  28          HD13      LEU  28 -17.039   0.470   0.470
  245   2HD1  LEU  28          HD12      LEU  28 -16.658   2.190   2.190
  246   3HD1  LEU  28          HD11      LEU  28 -16.027   1.224   1.224
  247   1HD2  LEU  28          HD23      LEU  28 -14.381   2.937   2.937
  248   2HD2  LEU  28          HD22      LEU  28 -13.099   1.752   1.752
  249   3HD2  LEU  28          HD21      LEU  28 -13.722   2.040   2.040
  250    H    GLN  29           HN       GLN  29 -14.887  -2.112  -2.112
  251    HA   GLN  29           HA       GLN  29 -17.519  -2.583  -2.583
  252   1HB   GLN  29           HB2      GLN  29 -14.883  -3.995  -3.995
  253   2HB   GLN  29           HB1      GLN  29 -16.349  -4.536  -4.536
  254   1HG   GLN  29           HG2      GLN  29 -16.592  -2.224  -2.224
  255   2HG   GLN  29           HG1      GLN  29 -15.019  -1.830  -1.830
  256   1HE2  GLN  29          HE21      GLN  29 -16.654  -3.840  -3.840
  257   2HE2  GLN  29          HE22      GLN  29 -15.240  -4.236  -4.236
  258    H    ASP  30           HN       ASP  30 -15.571  -4.235  -4.235
  259    HA   ASP  30           HA       ASP  30 -17.301  -6.545  -6.545
  260   1HB   ASP  30           HB2      ASP  30 -14.876  -6.843  -6.843
  261   2HB   ASP  30           HB1      ASP  30 -14.788  -5.648  -5.648
  262    H    VAL  31           HN       VAL  31 -18.630  -6.868  -6.868
  263    HA   VAL  31           HA       VAL  31 -20.105  -6.499  -6.499
  264    HB   VAL  31           HB       VAL  31 -18.195  -4.430  -4.430
  265   1HG1  VAL  31          HG12      VAL  31 -20.279  -6.313  -6.313
  266   2HG1  VAL  31          HG11      VAL  31 -18.983  -5.724  -5.724
  267   3HG1  VAL  31          HG13      VAL  31 -20.092  -4.583  -4.583
  268   1HG2  VAL  31          HG22      VAL  31 -17.829  -7.396  -7.396
  269   2HG2  VAL  31          HG21      VAL  31 -16.623  -6.110  -6.110
  270   3HG2  VAL  31          HG23      VAL  31 -17.320  -6.628  -6.628
  271    H    HIS  32           HN       HIS  32 -20.123  -4.689  -4.689
  272    HA   HIS  32           HA       HIS  32 -21.833  -2.512  -2.512
  273   1HB   HIS  32           HB2      HIS  32 -19.758  -2.394  -2.394
  274   2HB   HIS  32           HB1      HIS  32 -21.127  -1.293  -1.293
  275    HD1  HIS  32           HD1      HIS  32 -19.894   0.839   0.839
  276    HD2  HIS  32           HD2      HIS  32 -19.159  -2.167  -2.167
  277    HE1  HIS  32           HE1      HIS  32 -18.539   1.899   1.899
  278    H    ASN  33           HN       ASN  33 -21.097  -3.923  -3.923
  279    HA   ASN  33           HA       ASN  33 -23.745  -5.058  -5.058
  280   1HB   ASN  33           HB2      ASN  33 -23.681  -2.332  -2.332
  281   2HB   ASN  33           HB1      ASN  33 -23.384  -2.968  -2.968
  282   1HD2  ASN  33          HD21      ASN  33 -25.718  -3.078  -3.078
  283   2HD2  ASN  33          HD22      ASN  33 -27.023  -3.612  -3.612
  284    H    PHE  34           HN       PHE  34 -21.067  -3.612  -3.612
  285    HA   PHE  34           HA       PHE  34 -20.409  -6.248  -6.248
  286   1HB   PHE  34           HB2      PHE  34 -20.465  -5.090  -5.090
  287   2HB   PHE  34           HB1      PHE  34 -21.894  -5.873  -5.873
  288    HD1  PHE  34           HD1      PHE  34 -20.219  -2.546  -2.546
  289    HD2  PHE  34           HD2      PHE  34 -23.889  -4.649  -4.649
  290    HE1  PHE  34           HE1      PHE  34 -21.476  -0.418  -0.418
  291    HE2  PHE  34           HE2      PHE  34 -25.144  -2.520  -2.520
  292    HZ   PHE  34           HZ       PHE  34 -23.938  -0.405  -0.405

  Start of MODEL    2
    1   1H    SER   1           HT1      SER   1  18.150  15.713  15.713
    2   2H    SER   1           HT3      SER   1  19.638  15.863  15.863
    3   3H    SER   1           HT2      SER   1  18.196  16.219  16.219
    4    HA   SER   1           HA       SER   1  19.029  14.072  14.072
    5   1HB   SER   1           HB2      SER   1  18.827  13.425  13.425
    6   2HB   SER   1           HB1      SER   1  19.068  12.220  12.220
    7    HG   SER   1           HG       SER   1  21.076  12.819  12.819
    8    H    VAL   2           HN       VAL   2  17.392  12.904  12.904
    9    HA   VAL   2           HA       VAL   2  14.731  12.795  12.795
   10    HB   VAL   2           HB       VAL   2  13.602  13.144  13.144
   11   1HG1  VAL   2          HG13      VAL   2  14.133  15.068  15.068
   12   2HG1  VAL   2          HG12      VAL   2  15.586  15.360  15.360
   13   3HG1  VAL   2          HG11      VAL   2  13.994  15.515  15.515
   14   1HG2  VAL   2          HG23      VAL   2  15.393  12.283  12.283
   15   2HG2  VAL   2          HG22      VAL   2  14.885  13.897  13.897
   16   3HG2  VAL   2          HG21      VAL   2  16.393  13.681  13.681
   17    H    SER   3           HN       SER   3  13.257  11.200  11.200
   18    HA   SER   3           HA       SER   3  12.804   9.082   9.082
   19   1HB   SER   3           HB2      SER   3  14.794   9.643   9.643
   20   2HB   SER   3           HB1      SER   3  15.704   8.530   8.530
   21    HG   SER   3           HG       SER   3  14.792   7.053   7.053
   22    H    GLU   4           HN       GLU   4  12.426   7.307   7.307
   23    HA   GLU   4           HA       GLU   4  12.708   5.525   5.525
   24   1HB   GLU   4           HB2      GLU   4  15.196   5.507   5.507
   25   2HB   GLU   4           HB1      GLU   4  15.395   6.677   6.677
   26   1HG   GLU   4           HG2      GLU   4  15.793   4.336   4.336
   27   2HG   GLU   4           HG1      GLU   4  14.457   5.101   5.101
   28    H    ILE   5           HN       ILE   5  13.685   8.787   8.787
   29    HA   ILE   5           HA       ILE   5  12.741   8.513   8.513
   30    HB   ILE   5           HB       ILE   5  12.974  11.056  11.056
   31   1HG1  ILE   5          HG12      ILE   5  15.121  10.800  10.800
   32   2HG1  ILE   5          HG11      ILE   5  15.027   9.277   9.277
   33   1HG2  ILE   5          HG23      ILE   5  12.726  10.512  10.512
   34   2HG2  ILE   5          HG22      ILE   5  13.370  12.033  12.033
   35   3HG2  ILE   5          HG21      ILE   5  11.719  11.552  11.552
   36   1HD1  ILE   5          HD11      ILE   5  15.035  11.989  11.989
   37   2HD1  ILE   5          HD13      ILE   5  16.489  11.026  11.026
   38   3HD1  ILE   5          HD12      ILE   5  15.201  10.411  10.411
   39    H    GLN   6           HN       GLN   6  11.277   9.531   9.531
   40    HA   GLN   6           HA       GLN   6   8.712  10.319  10.319
   41   1HB   GLN   6           HB2      GLN   6   9.709  10.805  10.805
   42   2HB   GLN   6           HB1      GLN   6   9.165   9.186   9.186
   43   1HG   GLN   6           HG2      GLN   6   7.495  10.955  10.955
   44   2HG   GLN   6           HG1      GLN   6   6.854   9.757   9.757
   45   1HE2  GLN   6          HE21      GLN   6   8.174  13.108  13.108
   46   2HE2  GLN   6          HE22      GLN   6   7.409  13.613  13.613
   47    H    LEU   7           HN       LEU   7   9.975   7.232   7.232
   48    HA   LEU   7           HA       LEU   7   7.530   5.717   5.717
   49   1HB   LEU   7           HB2      LEU   7   9.576   5.028   5.028
   50   2HB   LEU   7           HB1      LEU   7  10.391   4.679   4.679
   51    HG   LEU   7           HG       LEU   7   7.706   3.432   3.432
   52   1HD1  LEU   7          HD12      LEU   7   8.781   3.143   3.143
   53   2HD1  LEU   7          HD11      LEU   7  10.197   2.446   2.446
   54   3HD1  LEU   7          HD13      LEU   7   8.646   1.610   1.610
   55   1HD2  LEU   7          HD22      LEU   7  10.377   2.640   2.640
   56   2HD2  LEU   7          HD21      LEU   7   8.852   2.912   2.912
   57   3HD2  LEU   7          HD23      LEU   7   9.052   1.491   1.491
   58    H    MET   8           HN       MET   8  10.388   6.040   6.040
   59    HA   MET   8           HA       MET   8   9.448   4.431   4.431
   60   1HB   MET   8           HB2      MET   8  11.362   6.776   6.776
   61   2HB   MET   8           HB1      MET   8  11.028   5.924   5.924
   62   1HG   MET   8           HG2      MET   8  11.887   4.447   4.447
   63   2HG   MET   8           HG1      MET   8  13.063   5.128   5.128
   64   1HE   MET   8           HE1      MET   8  13.937   4.172   4.172
   65   2HE   MET   8           HE3      MET   8  12.589   4.588   4.588
   66   3HE   MET   8           HE2      MET   8  13.266   2.961   2.961
   67    H    HIS   9           HN       HIS   9   8.795   7.822   7.822
   68    HA   HIS   9           HA       HIS   9   7.424   8.503   8.503
   69   1HB   HIS   9           HB2      HIS   9   8.465  10.220  10.220
   70   2HB   HIS   9           HB1      HIS   9   7.350   9.804   9.804
   71    HD1  HIS   9           HD1      HIS   9   6.749  10.553  10.553
   72    HD2  HIS   9           HD2      HIS   9   5.479  11.810  11.810
   73    HE1  HIS   9           HE1      HIS   9   4.965  12.306  12.306
   74    H    ASN  10           HN       ASN  10   6.365   7.559   7.559
   75    HA   ASN  10           HA       ASN  10   3.532   7.646   7.646
   76   1HB   ASN  10           HB2      ASN  10   5.289   6.484   6.484
   77   2HB   ASN  10           HB1      ASN  10   3.607   5.969   5.969
   78   1HD2  ASN  10          HD21      ASN  10   5.730   8.706   8.706
   79   2HD2  ASN  10          HD22      ASN  10   4.511   9.740   9.740
   80    H    LEU  11           HN       LEU  11   5.762   4.826   4.826
   81    HA   LEU  11           HA       LEU  11   3.837   2.890   2.890
   82   1HB   LEU  11           HB2      LEU  11   6.024   2.449   2.449
   83   2HB   LEU  11           HB1      LEU  11   6.841   2.629   2.629
   84    HG   LEU  11           HG       LEU  11   5.273   0.866   0.866
   85   1HD1  LEU  11          HD12      LEU  11   4.568   0.685   0.685
   86   2HD1  LEU  11          HD11      LEU  11   4.293  -0.649  -0.649
   87   3HD1  LEU  11          HD13      LEU  11   3.471   0.892   0.892
   88   1HD2  LEU  11          HD22      LEU  11   7.119   0.138   0.138
   89   2HD2  LEU  11          HD21      LEU  11   7.560   0.289   0.289
   90   3HD2  LEU  11          HD23      LEU  11   6.496  -1.017  -1.017
   91    H    GLY  12           HN       GLY  12   6.376   4.759   4.759
   92   1HA   GLY  12           HA2      GLY  12   6.131   3.625   3.625
   93   2HA   GLY  12           HA1      GLY  12   6.639   5.283   5.283
   94    H    LYS  13           HN       LYS  13   4.133   6.076   6.076
   95    HA   LYS  13           HA       LYS  13   2.513   6.764   6.764
   96   1HB   LYS  13           HB2      LYS  13   2.703   7.577   7.577
   97   2HB   LYS  13           HB1      LYS  13   1.026   7.198   7.198
   98   1HG   LYS  13           HG2      LYS  13   0.823   9.164   9.164
   99   2HG   LYS  13           HG1      LYS  13   2.064   8.662   8.662
  100   1HD   LYS  13           HD2      LYS  13   2.970  10.628  10.628
  101   2HD   LYS  13           HD1      LYS  13   3.748   9.371   9.371
  102   1HE   LYS  13           HE2      LYS  13   1.141  10.346  10.346
  103   2HE   LYS  13           HE1      LYS  13   2.463  11.508  11.508
  104   1HZ   LYS  13           HZ2      LYS  13   3.789   9.581   9.581
  105   2HZ   LYS  13           HZ1      LYS  13   2.275   8.874   8.874
  106   3HZ   LYS  13           HZ3      LYS  13   2.652  10.379  10.379
  107    H    HIS  14           HN       HIS  14   2.238   4.412   4.412
  108    HA   HIS  14           HA       HIS  14  -0.411   3.470   3.470
  109   1HB   HIS  14           HB2      HIS  14   2.088   2.210   2.210
  110   2HB   HIS  14           HB1      HIS  14   0.631   1.249   1.249
  111    HD1  HIS  14           HD1      HIS  14  -1.570   3.060   3.060
  112    HD2  HIS  14           HD2      HIS  14   2.157   3.013   3.013
  113    HE1  HIS  14           HE1      HIS  14  -1.915   4.025   4.025
  114    H    LEU  15           HN       LEU  15   2.595   1.813   1.813
  115    HA   LEU  15           HA       LEU  15   1.152   0.352   0.352
  116   1HB   LEU  15           HB2      LEU  15   3.478  -0.446  -0.446
  117   2HB   LEU  15           HB1      LEU  15   2.983  -0.857  -0.857
  118    HG   LEU  15           HG       LEU  15   4.304   1.742   1.742
  119   1HD1  LEU  15          HD12      LEU  15   5.434   0.688   0.688
  120   2HD1  LEU  15          HD11      LEU  15   5.938  -0.638  -0.638
  121   3HD1  LEU  15          HD13      LEU  15   6.527   0.997   0.997
  122   1HD2  LEU  15          HD23      LEU  15   3.914   0.311   0.311
  123   2HD2  LEU  15          HD22      LEU  15   5.622   0.690   0.690
  124   3HD2  LEU  15          HD21      LEU  15   5.009  -0.898  -0.898
  125    H    ASN  16           HN       ASN  16   2.420   0.510   0.510
  126    HA   ASN  16           HA       ASN  16   2.878   1.799   1.799
  127   1HB   ASN  16           HB2      ASN  16   4.470   2.983   2.983
  128   2HB   ASN  16           HB1      ASN  16   3.328   4.308   4.308
  129   1HD2  ASN  16          HD21      ASN  16   5.642   2.226   2.226
  130   2HD2  ASN  16          HD22      ASN  16   5.794   3.272   3.272
  131    H    SER  17           HN       SER  17   1.099   3.919   3.919
  132    HA   SER  17           HA       SER  17  -0.612   4.910   4.910
  133   1HB   SER  17           HB2      SER  17  -0.544   5.527   5.527
  134   2HB   SER  17           HB1      SER  17  -1.675   6.265   6.265
  135    HG   SER  17           HG       SER  17   1.090   6.593   6.593
  136    H    MET  18           HN       MET  18  -1.726   3.844   3.844
  137    HA   MET  18           HA       MET  18  -4.227   2.805   2.805
  138   1HB   MET  18           HB2      MET  18  -2.745   2.349   2.349
  139   2HB   MET  18           HB1      MET  18  -4.335   1.663   1.663
  140   1HG   MET  18           HG2      MET  18  -5.163   3.986   3.986
  141   2HG   MET  18           HG1      MET  18  -3.600   4.605   4.605
  142   1HE   MET  18           HE2      MET  18  -2.515   3.588   3.588
  143   2HE   MET  18           HE1      MET  18  -3.373   3.994   3.994
  144   3HE   MET  18           HE3      MET  18  -3.109   5.229   5.229
  145    H    GLU  19           HN       GLU  19  -1.027   1.255   1.255
  146    HA   GLU  19           HA       GLU  19  -1.807  -1.505  -1.505
  147   1HB   GLU  19           HB2      GLU  19   0.506  -1.082  -1.082
  148   2HB   GLU  19           HB1      GLU  19   0.609   0.064   0.064
  149   1HG   GLU  19           HG2      GLU  19  -0.112  -2.678  -2.678
  150   2HG   GLU  19           HG1      GLU  19   1.493  -2.530  -2.530
  151    H    ARG  20           HN       ARG  20  -1.451   1.073   1.073
  152    HA   ARG  20           HA       ARG  20  -2.089  -0.596  -0.596
  153   1HB   ARG  20           HB2      ARG  20  -0.674   1.576   1.576
  154   2HB   ARG  20           HB1      ARG  20  -2.224   2.408   2.408
  155   1HG   ARG  20           HG2      ARG  20  -1.880   2.336   2.336
  156   2HG   ARG  20           HG1      ARG  20  -2.802   0.856   0.856
  157   1HD   ARG  20           HD2      ARG  20   0.234   0.934   0.934
  158   2HD   ARG  20           HD1      ARG  20  -0.702   0.627   0.627
  159    HE   ARG  20           HE       ARG  20  -0.381  -1.225  -1.225
  160   1HH1  ARG  20          HH11      ARG  20  -3.267  -1.291  -1.291
  161   2HH1  ARG  20          HH12      ARG  20  -3.346  -2.463  -2.463
  162   1HH2  ARG  20          HH21      ARG  20   0.073  -2.357  -2.357
  163   2HH2  ARG  20          HH22      ARG  20  -1.440  -3.076  -3.076
  164    H    VAL  21           HN       VAL  21  -3.742   1.857   1.857
  165    HA   VAL  21           HA       VAL  21  -6.135   1.962   1.962
  166    HB   VAL  21           HB       VAL  21  -7.063   3.247   3.247
  167   1HG1  VAL  21          HG12      VAL  21  -4.605   3.728   3.728
  168   2HG1  VAL  21          HG11      VAL  21  -4.373   3.682   3.682
  169   3HG1  VAL  21          HG13      VAL  21  -5.530   4.803   4.803
  170   1HG2  VAL  21          HG23      VAL  21  -5.590   1.531   1.531
  171   2HG2  VAL  21          HG22      VAL  21  -7.292   1.951   1.951
  172   3HG2  VAL  21          HG21      VAL  21  -6.097   3.142   3.142
  173    H    GLU  22           HN       GLU  22  -5.212  -0.293  -0.293
  174    HA   GLU  22           HA       GLU  22  -7.773  -1.212  -1.212
  175   1HB   GLU  22           HB2      GLU  22  -6.771  -3.293  -3.293
  176   2HB   GLU  22           HB1      GLU  22  -5.764  -1.925  -1.925
  177   1HG   GLU  22           HG2      GLU  22  -4.097  -3.264  -3.264
  178   2HG   GLU  22           HG1      GLU  22  -4.596  -2.536  -2.536
  179    H    TRP  23           HN       TRP  23  -5.777  -1.800  -1.800
  180    HA   TRP  23           HA       TRP  23  -7.216  -4.033  -4.033
  181   1HB   TRP  23           HB2      TRP  23  -4.850  -3.313  -3.313
  182   2HB   TRP  23           HB1      TRP  23  -5.500  -1.870  -1.870
  183    HD1  TRP  23           HD1      TRP  23  -4.514  -5.186  -5.186
  184    HE1  TRP  23           HE1      TRP  23  -5.223  -6.091  -6.091
  185    HE3  TRP  23           HE3      TRP  23  -7.727  -1.564  -1.564
  186    HZ2  TRP  23           HZ2      TRP  23  -6.972  -5.288  -5.288
  187    HZ3  TRP  23           HZ3      TRP  23  -8.905  -1.595  -1.595
  188    HH2  TRP  23           HH2      TRP  23  -8.534  -3.446  -3.446
  189    H    LEU  24           HN       LEU  24  -6.999  -0.609  -0.609
  190    HA   LEU  24           HA       LEU  24  -9.131  -0.495  -0.495
  191   1HB   LEU  24           HB2      LEU  24  -7.799   1.694   1.694
  192   2HB   LEU  24           HB1      LEU  24  -8.936   1.997   1.997
  193    HG   LEU  24           HG       LEU  24  -6.726   2.283   2.283
  194   1HD1  LEU  24          HD11      LEU  24  -8.413   0.112   0.112
  195   2HD1  LEU  24          HD13      LEU  24  -6.724  -0.186  -0.186
  196   3HD1  LEU  24          HD12      LEU  24  -7.508   1.296   1.296
  197   1HD2  LEU  24          HD21      LEU  24  -5.683   0.800   0.800
  198   2HD2  LEU  24          HD23      LEU  24  -4.906   0.813   0.813
  199   3HD2  LEU  24          HD22      LEU  24  -5.942  -0.535  -0.535
  200    H    ARG  25           HN       ARG  25  -9.021   0.706   0.706
  201    HA   ARG  25           HA       ARG  25 -11.782   1.450   1.450
  202   1HB   ARG  25           HB2      ARG  25 -10.011   1.982   1.982
  203   2HB   ARG  25           HB1      ARG  25 -10.021   0.297   0.297
  204   1HG   ARG  25           HG2      ARG  25 -12.715   1.459   1.459
  205   2HG   ARG  25           HG1      ARG  25 -11.627   2.328   2.328
  206   1HD   ARG  25           HD2      ARG  25 -12.134   0.704   0.704
  207   2HD   ARG  25           HD1      ARG  25 -11.010  -0.292  -0.292
  208    HE   ARG  25           HE       ARG  25 -13.649  -0.421  -0.421
  209   1HH1  ARG  25          HH11      ARG  25 -11.563  -2.634  -2.634
  210   2HH1  ARG  25          HH12      ARG  25 -12.523  -3.594  -3.594
  211   1HH2  ARG  25          HH21      ARG  25 -14.982  -1.156  -1.156
  212   2HH2  ARG  25          HH22      ARG  25 -14.470  -2.748  -2.748
  213    H    LYS  26           HN       LYS  26 -10.240  -1.761  -1.761
  214    HA   LYS  26           HA       LYS  26 -12.677  -3.100  -3.100
  215   1HB   LYS  26           HB2      LYS  26 -10.437  -3.995  -3.995
  216   2HB   LYS  26           HB1      LYS  26 -10.128  -4.218  -4.218
  217   1HG   LYS  26           HG2      LYS  26 -11.861  -5.907  -5.907
  218   2HG   LYS  26           HG1      LYS  26 -12.379  -5.586  -5.586
  219   1HD   LYS  26           HD2      LYS  26 -10.973  -7.581  -7.581
  220   2HD   LYS  26           HD1      LYS  26 -10.111  -6.276  -6.276
  221   1HE   LYS  26           HE2      LYS  26  -9.613  -6.340  -6.340
  222   2HE   LYS  26           HE1      LYS  26  -9.105  -7.817  -7.817
  223   1HZ   LYS  26           HZ3      LYS  26  -8.320  -5.050  -5.050
  224   2HZ   LYS  26           HZ2      LYS  26  -7.335  -6.164  -6.164
  225   3HZ   LYS  26           HZ1      LYS  26  -7.826  -6.474  -6.474
  226    H    LYS  27           HN       LYS  27 -10.931  -2.967  -2.967
  227    HA   LYS  27           HA       LYS  27 -12.792  -4.509  -4.509
  228   1HB   LYS  27           HB2      LYS  27 -10.752  -2.396  -2.396
  229   2HB   LYS  27           HB1      LYS  27 -11.805  -3.066  -3.066
  230   1HG   LYS  27           HG2      LYS  27 -10.287  -4.895  -4.895
  231   2HG   LYS  27           HG1      LYS  27  -9.500  -4.213  -4.213
  232   1HD   LYS  27           HD2      LYS  27 -10.643  -5.551  -5.551
  233   2HD   LYS  27           HD1      LYS  27 -12.165  -5.330  -5.330
  234   1HE   LYS  27           HE2      LYS  27 -10.020  -6.980  -6.980
  235   2HE   LYS  27           HE1      LYS  27 -10.945  -7.692  -7.692
  236   1HZ   LYS  27           HZ3      LYS  27 -12.991  -7.138  -7.138
  237   2HZ   LYS  27           HZ2      LYS  27 -12.078  -6.500  -6.500
  238   3HZ   LYS  27           HZ1      LYS  27 -11.992  -8.156  -8.156
  239    H    LEU  28           HN       LEU  28 -12.836  -1.115  -1.115
  240    HA   LEU  28           HA       LEU  28 -14.894  -0.133  -0.133
  241   1HB   LEU  28           HB2      LEU  28 -13.354   1.228   1.228
  242   2HB   LEU  28           HB1      LEU  28 -14.402   0.747   0.747
  243    HG   LEU  28           HG       LEU  28 -16.344   1.670   1.670
  244   1HD1  LEU  28          HD11      LEU  28 -14.006   2.786   2.786
  245   2HD1  LEU  28          HD13      LEU  28 -15.643   3.436   3.436
  246   3HD1  LEU  28          HD12      LEU  28 -15.323   1.782   1.782
  247   1HD2  LEU  28          HD21      LEU  28 -15.279   2.840   2.840
  248   2HD2  LEU  28          HD23      LEU  28 -15.910   3.962   3.962
  249   3HD2  LEU  28          HD22      LEU  28 -14.177   3.637   3.637
  250    H    GLN  29           HN       GLN  29 -14.954  -1.851  -1.851
  251    HA   GLN  29           HA       GLN  29 -17.754  -1.741  -1.741
  252   1HB   GLN  29           HB2      GLN  29 -15.993  -4.100  -4.100
  253   2HB   GLN  29           HB1      GLN  29 -17.433  -3.574  -3.574
  254   1HG   GLN  29           HG2      GLN  29 -14.738  -2.181  -2.181
  255   2HG   GLN  29           HG1      GLN  29 -15.495  -2.950  -2.950
  256   1HE2  GLN  29          HE21      GLN  29 -15.274   0.034   0.034
  257   2HE2  GLN  29          HE22      GLN  29 -16.436   0.888   0.888
  258    H    ASP  30           HN       ASP  30 -15.821  -3.838  -3.838
  259    HA   ASP  30           HA       ASP  30 -18.117  -5.469  -5.469
  260   1HB   ASP  30           HB2      ASP  30 -15.270  -5.628  -5.628
  261   2HB   ASP  30           HB1      ASP  30 -16.498  -6.889  -6.889
  262    H    VAL  31           HN       VAL  31 -16.566  -5.469  -5.469
  263    HA   VAL  31           HA       VAL  31 -18.158  -3.351  -3.351
  264    HB   VAL  31           HB       VAL  31 -16.593  -3.871  -3.871
  265   1HG1  VAL  31          HG13      VAL  31 -18.804  -5.671  -5.671
  266   2HG1  VAL  31          HG12      VAL  31 -18.226  -5.587  -5.587
  267   3HG1  VAL  31          HG11      VAL  31 -18.996  -4.182  -4.182
  268   1HG2  VAL  31          HG22      VAL  31 -15.126  -5.425  -5.425
  269   2HG2  VAL  31          HG21      VAL  31 -15.835  -6.156  -6.156
  270   3HG2  VAL  31          HG23      VAL  31 -16.510  -6.505  -6.505
  271    H    HIS  32           HN       HIS  32 -14.732  -3.866  -3.866
  272    HA   HIS  32           HA       HIS  32 -13.051  -2.371  -2.371
  273   1HB   HIS  32           HB2      HIS  32 -13.400  -0.193  -0.193
  274   2HB   HIS  32           HB1      HIS  32 -15.079  -0.687  -0.687
  275    HD1  HIS  32           HD1      HIS  32 -13.666   2.188   2.188
  276    HD2  HIS  32           HD2      HIS  32 -15.473  -0.464  -0.464
  277    HE1  HIS  32           HE1      HIS  32 -14.426   3.576   3.576
  278    H    ASN  33           HN       ASN  33 -11.831  -0.407  -0.407
  279    HA   ASN  33           HA       ASN  33 -10.653  -1.744  -1.744
  280   1HB   ASN  33           HB2      ASN  33 -10.892   1.256   1.256
  281   2HB   ASN  33           HB1      ASN  33  -9.775   0.474   0.474
  282   1HD2  ASN  33          HD21      ASN  33  -7.888  -0.605  -0.605
  283   2HD2  ASN  33          HD22      ASN  33  -7.486  -0.464  -0.464
  284    H    PHE  34           HN       PHE  34 -12.730   1.149   1.149
  285    HA   PHE  34           HA       PHE  34 -14.293  -0.263  -0.263
  286   1HB   PHE  34           HB2      PHE  34 -11.892   0.285   0.285
  287   2HB   PHE  34           HB1      PHE  34 -12.562   1.904   1.904
  288    HD1  PHE  34           HD1      PHE  34 -14.614   2.264   2.264
  289    HD2  PHE  34           HD2      PHE  34 -12.612  -1.535  -1.535
  290    HE1  PHE  34           HE1      PHE  34 -15.801   1.541   1.541
  291    HE2  PHE  34           HE2      PHE  34 -13.802  -2.256  -2.256
  292    HZ   PHE  34           HZ       PHE  34 -15.396  -0.718  -0.718

  Start of MODEL    3
    1   1H    SER   1           HT2      SER   1   4.229 -15.735 -15.735
    2   2H    SER   1           HT1      SER   1   3.300 -14.687 -14.687
    3   3H    SER   1           HT3      SER   1   4.332 -14.054 -14.054
    4    HA   SER   1           HA       SER   1   2.039 -13.967 -13.967
    5   1HB   SER   1           HB2      SER   1   1.477 -16.081 -16.081
    6   2HB   SER   1           HB1      SER   1   2.045 -16.989 -16.989
    7    HG   SER   1           HG       SER   1   0.114 -16.635 -16.635
    8    H    VAL   2           HN       VAL   2   1.997 -13.697 -13.697
    9    HA   VAL   2           HA       VAL   2   3.630 -15.495 -15.495
   10    HB   VAL   2           HB       VAL   2   4.411 -13.459 -13.459
   11   1HG1  VAL   2          HG12      VAL   2   5.833 -14.738 -14.738
   12   2HG1  VAL   2          HG11      VAL   2   5.388 -13.572 -13.572
   13   3HG1  VAL   2          HG13      VAL   2   6.299 -13.046 -13.046
   14   1HG2  VAL   2          HG21      VAL   2   2.733 -11.874 -11.874
   15   2HG2  VAL   2          HG23      VAL   2   4.392 -11.284 -11.284
   16   3HG2  VAL   2          HG22      VAL   2   3.642 -11.954 -11.954
   17    H    SER   3           HN       SER   3   2.771 -15.796 -15.796
   18    HA   SER   3           HA       SER   3   0.321 -14.279 -14.279
   19   1HB   SER   3           HB2      SER   3  -0.565 -16.439 -16.439
   20   2HB   SER   3           HB1      SER   3  -0.573 -16.368 -16.368
   21    HG   SER   3           HG       SER   3   0.623 -18.143 -18.143
   22    H    GLU   4           HN       GLU   4   2.345 -16.668 -16.668
   23    HA   GLU   4           HA       GLU   4   2.176 -15.502 -15.502
   24   1HB   GLU   4           HB2      GLU   4   3.897 -17.604 -17.604
   25   2HB   GLU   4           HB1      GLU   4   4.388 -16.951 -16.951
   26   1HG   GLU   4           HG2      GLU   4   3.006 -18.921 -18.921
   27   2HG   GLU   4           HG1      GLU   4   2.108 -17.496 -17.496
   28    H    ILE   5           HN       ILE   5   4.257 -14.872 -14.872
   29    HA   ILE   5           HA       ILE   5   6.236 -13.320 -13.320
   30    HB   ILE   5           HB       ILE   5   5.693 -13.345 -13.345
   31   1HG1  ILE   5          HG12      ILE   5   6.277 -15.606 -15.606
   32   2HG1  ILE   5          HG11      ILE   5   7.609 -14.918 -14.918
   33   1HG2  ILE   5          HG22      ILE   5   8.008 -12.311 -12.311
   34   2HG2  ILE   5          HG21      ILE   5   8.115 -12.581 -12.581
   35   3HG2  ILE   5          HG23      ILE   5   6.973 -11.400 -11.400
   36   1HD1  ILE   5          HD13      ILE   5   8.662 -14.236 -14.236
   37   2HD1  ILE   5          HD12      ILE   5   7.402 -15.163 -15.163
   38   3HD1  ILE   5          HD11      ILE   5   8.548 -15.978 -15.978
   39    H    GLN   6           HN       GLN   6   3.320 -12.656 -12.656
   40    HA   GLN   6           HA       GLN   6   3.495  -9.776  -9.776
   41   1HB   GLN   6           HB2      GLN   6   2.059 -11.146 -11.146
   42   2HB   GLN   6           HB1      GLN   6   0.943 -11.398 -11.398
   43   1HG   GLN   6           HG2      GLN   6   0.194  -9.490  -9.490
   44   2HG   GLN   6           HG1      GLN   6   0.708  -8.927  -8.927
   45   1HE2  GLN   6          HE21      GLN   6   1.804  -9.161  -9.161
   46   2HE2  GLN   6          HE22      GLN   6   2.922  -7.891  -7.891
   47    H    LEU   7           HN       LEU   7   2.292 -12.232 -12.232
   48    HA   LEU   7           HA       LEU   7   0.895 -10.285 -10.285
   49   1HB   LEU   7           HB2      LEU   7   1.796 -13.155 -13.155
   50   2HB   LEU   7           HB1      LEU   7   0.720 -12.211 -12.211
   51    HG   LEU   7           HG       LEU   7  -0.027 -12.557 -12.557
   52   1HD1  LEU   7          HD12      LEU   7   0.026 -14.702 -14.702
   53   2HD1  LEU   7          HD11      LEU   7  -1.249 -14.698 -14.698
   54   3HD1  LEU   7          HD13      LEU   7   0.437 -14.815 -14.815
   55   1HD2  LEU   7          HD21      LEU   7  -1.338 -11.142 -11.142
   56   2HD2  LEU   7          HD23      LEU   7  -2.276 -12.532 -12.532
   57   3HD2  LEU   7          HD22      LEU   7  -1.562 -12.528 -12.528
   58    H    MET   8           HN       MET   8   3.768 -12.387 -12.387
   59    HA   MET   8           HA       MET   8   4.992 -11.373 -11.373
   60   1HB   MET   8           HB2      MET   8   6.125 -12.486 -12.486
   61   2HB   MET   8           HB1      MET   8   7.215 -11.860 -11.860
   62   1HG   MET   8           HG2      MET   8   6.048 -13.366 -13.366
   63   2HG   MET   8           HG1      MET   8   5.200 -14.101 -14.101
   64   1HE   MET   8           HE2      MET   8   5.849 -16.156 -16.156
   65   2HE   MET   8           HE1      MET   8   6.518 -15.202 -15.202
   66   3HE   MET   8           HE3      MET   8   7.432 -16.563 -16.563
   67    H    HIS   9           HN       HIS   9   5.203 -10.063 -10.063
   68    HA   HIS   9           HA       HIS   9   6.726  -7.715  -7.715
   69   1HB   HIS   9           HB2      HIS   9   7.238  -8.843  -8.843
   70   2HB   HIS   9           HB1      HIS   9   5.678  -8.289  -8.289
   71    HD1  HIS   9           HD1      HIS   9   7.934  -7.180  -7.180
   72    HD2  HIS   9           HD2      HIS   9   6.669  -5.344  -5.344
   73    HE1  HIS   9           HE1      HIS   9   8.755  -4.786  -4.786
   74    H    ASN  10           HN       ASN  10   3.967  -7.680  -7.680
   75    HA   ASN  10           HA       ASN  10   1.959  -6.571  -6.571
   76   1HB   ASN  10           HB2      ASN  10   1.570  -7.718  -7.718
   77   2HB   ASN  10           HB1      ASN  10   2.212  -6.330  -6.330
   78   1HD2  ASN  10          HD21      ASN  10  -0.559  -7.523  -7.523
   79   2HD2  ASN  10          HD22      ASN  10  -1.559  -6.185  -6.185
   80    H    LEU  11           HN       LEU  11   4.382  -4.808  -4.808
   81    HA   LEU  11           HA       LEU  11   3.303  -2.197  -2.197
   82   1HB   LEU  11           HB2      LEU  11   5.083  -2.695  -2.695
   83   2HB   LEU  11           HB1      LEU  11   6.221  -2.970  -2.970
   84    HG   LEU  11           HG       LEU  11   5.843  -0.641  -0.641
   85   1HD1  LEU  11          HD12      LEU  11   4.088  -0.514  -0.514
   86   2HD1  LEU  11          HD11      LEU  11   4.707   0.924   0.924
   87   3HD1  LEU  11          HD13      LEU  11   3.624  -0.171  -0.171
   88   1HD2  LEU  11          HD23      LEU  11   7.675  -1.232  -1.232
   89   2HD2  LEU  11          HD22      LEU  11   7.133   0.441   0.441
   90   3HD2  LEU  11          HD21      LEU  11   6.607  -0.755  -0.755
   91    H    GLY  12           HN       GLY  12   5.158  -4.319  -4.319
   92   1HA   GLY  12           HA2      GLY  12   6.148  -2.499  -2.499
   93   2HA   GLY  12           HA1      GLY  12   5.659  -4.161  -4.161
   94    H    LYS  13           HN       LYS  13   2.863  -3.645  -3.645
   95    HA   LYS  13           HA       LYS  13   1.723  -2.423  -2.423
   96   1HB   LYS  13           HB2      LYS  13   0.305  -3.562  -3.562
   97   2HB   LYS  13           HB1      LYS  13  -0.429  -3.214  -3.214
   98   1HG   LYS  13           HG2      LYS  13   1.836  -5.201  -5.201
   99   2HG   LYS  13           HG1      LYS  13   0.150  -5.672  -5.672
  100   1HD   LYS  13           HD2      LYS  13   0.999  -4.154  -4.154
  101   2HD   LYS  13           HD1      LYS  13   1.282  -5.889  -5.889
  102   1HE   LYS  13           HE2      LYS  13  -0.848  -6.191  -6.191
  103   2HE   LYS  13           HE1      LYS  13  -1.366  -5.557  -5.557
  104   1HZ   LYS  13           HZ2      LYS  13  -0.698  -3.762  -3.762
  105   2HZ   LYS  13           HZ1      LYS  13  -2.251  -4.419  -4.419
  106   3HZ   LYS  13           HZ3      LYS  13  -1.605  -3.418  -3.418
  107    H    HIS  14           HN       HIS  14   3.098  -0.450  -0.450
  108    HA   HIS  14           HA       HIS  14   1.203   1.555   1.555
  109   1HB   HIS  14           HB2      HIS  14   2.028  -0.111  -0.111
  110   2HB   HIS  14           HB1      HIS  14   3.316   1.074   1.074
  111    HD1  HIS  14           HD1      HIS  14   0.896   3.299   3.299
  112    HD2  HIS  14           HD2      HIS  14   1.307   1.074   1.074
  113    HE1  HIS  14           HE1      HIS  14  -0.456   4.498   4.498
  114    H    LEU  15           HN       LEU  15   3.646   1.144   1.144
  115    HA   LEU  15           HA       LEU  15   5.586   3.133   3.133
  116   1HB   LEU  15           HB2      LEU  15   5.390   1.705   1.705
  117   2HB   LEU  15           HB1      LEU  15   6.707   2.759   2.759
  118    HG   LEU  15           HG       LEU  15   7.776   1.017   1.017
  119   1HD1  LEU  15          HD11      LEU  15   6.332   1.513   1.513
  120   2HD1  LEU  15          HD13      LEU  15   5.346   0.137   0.137
  121   3HD1  LEU  15          HD12      LEU  15   7.046  -0.093  -0.093
  122   1HD2  LEU  15          HD21      LEU  15   5.338  -0.428  -0.428
  123   2HD2  LEU  15          HD23      LEU  15   6.971  -0.422  -0.422
  124   3HD2  LEU  15          HD22      LEU  15   6.626  -1.297  -1.297
  125    H    ASN  16           HN       ASN  16   3.546   2.875   2.875
  126    HA   ASN  16           HA       ASN  16   3.534   5.808   5.808
  127   1HB   ASN  16           HB2      ASN  16   2.495   3.466   3.466
  128   2HB   ASN  16           HB1      ASN  16   1.859   5.076   5.076
  129   1HD2  ASN  16          HD21      ASN  16   3.350   6.693   6.693
  130   2HD2  ASN  16          HD22      ASN  16   4.857   6.235   6.235
  131    H    SER  17           HN       SER  17   1.752   3.596   3.596
  132    HA   SER  17           HA       SER  17  -0.020   3.955   3.955
  133   1HB   SER  17           HB2      SER  17   0.416   6.442   6.442
  134   2HB   SER  17           HB1      SER  17  -0.838   6.427   6.427
  135    HG   SER  17           HG       SER  17  -2.027   6.747   6.747
  136    H    MET  18           HN       MET  18  -0.488   4.041   4.041
  137    HA   MET  18           HA       MET  18  -3.320   3.405   3.405
  138   1HB   MET  18           HB2      MET  18  -1.208   3.368   3.368
  139   2HB   MET  18           HB1      MET  18  -2.733   2.533   2.533
  140   1HG   MET  18           HG2      MET  18  -2.672   5.381   5.381
  141   2HG   MET  18           HG1      MET  18  -2.586   5.015   5.015
  142   1HE   MET  18           HE3      MET  18  -4.446   4.469   4.469
  143   2HE   MET  18           HE2      MET  18  -4.294   2.840   2.840
  144   3HE   MET  18           HE1      MET  18  -5.890   3.563   3.563
  145    H    GLU  19           HN       GLU  19  -0.456   1.500   1.500
  146    HA   GLU  19           HA       GLU  19  -1.668  -1.108  -1.108
  147   1HB   GLU  19           HB2      GLU  19   0.764  -0.658  -0.658
  148   2HB   GLU  19           HB1      GLU  19   0.363  -2.079  -2.079
  149   1HG   GLU  19           HG2      GLU  19   1.769  -1.225  -1.225
  150   2HG   GLU  19           HG1      GLU  19   0.484  -0.086  -0.086
  151    H    ARG  20           HN       ARG  20  -1.308   1.050   1.050
  152    HA   ARG  20           HA       ARG  20  -2.094  -0.769  -0.769
  153   1HB   ARG  20           HB2      ARG  20  -0.755   1.311   1.311
  154   2HB   ARG  20           HB1      ARG  20  -2.140   2.257   2.257
  155   1HG   ARG  20           HG2      ARG  20  -2.124   2.280   2.280
  156   2HG   ARG  20           HG1      ARG  20  -3.459   1.261   1.261
  157   1HD   ARG  20           HD2      ARG  20  -0.808  -0.044  -0.044
  158   2HD   ARG  20           HD1      ARG  20  -1.769   0.457   0.457
  159    HE   ARG  20           HE       ARG  20  -3.559  -0.965  -0.965
  160   1HH1  ARG  20          HH21      ARG  20  -0.966  -2.444  -2.444
  161   2HH1  ARG  20          HH22      ARG  20  -0.999  -3.739  -3.739
  162   1HH2  ARG  20          HH11      ARG  20  -3.432  -2.242  -2.242
  163   2HH2  ARG  20          HH12      ARG  20  -2.411  -3.624  -3.624
  164    H    VAL  21           HN       VAL  21  -3.609   2.073   2.073
  165    HA   VAL  21           HA       VAL  21  -6.042   2.307   2.307
  166    HB   VAL  21           HB       VAL  21  -5.317   3.847   3.847
  167   1HG1  VAL  21          HG11      VAL  21  -4.029   2.102   2.102
  168   2HG1  VAL  21          HG13      VAL  21  -5.527   1.615   1.615
  169   3HG1  VAL  21          HG12      VAL  21  -4.897   3.231   3.231
  170   1HG2  VAL  21          HG21      VAL  21  -7.815   3.419   3.419
  171   2HG2  VAL  21          HG23      VAL  21  -7.226   4.018   4.018
  172   3HG2  VAL  21          HG22      VAL  21  -7.594   2.305   2.305
  173    H    GLU  22           HN       GLU  22  -5.460   0.034   0.034
  174    HA   GLU  22           HA       GLU  22  -8.089  -0.921  -0.921
  175   1HB   GLU  22           HB2      GLU  22  -6.887  -3.176  -3.176
  176   2HB   GLU  22           HB1      GLU  22  -6.617  -1.751  -1.751
  177   1HG   GLU  22           HG2      GLU  22  -4.416  -1.873  -1.873
  178   2HG   GLU  22           HG1      GLU  22  -4.721  -1.670  -1.670
  179    H    TRP  23           HN       TRP  23  -5.709  -2.011  -2.011
  180    HA   TRP  23           HA       TRP  23  -7.036  -4.190  -4.190
  181   1HB   TRP  23           HB2      TRP  23  -4.727  -3.291  -3.291
  182   2HB   TRP  23           HB1      TRP  23  -5.470  -1.918  -1.918
  183    HD1  TRP  23           HD1      TRP  23  -4.274  -5.202  -5.202
  184    HE1  TRP  23           HE1      TRP  23  -4.807  -6.155  -6.155
  185    HE3  TRP  23           HE3      TRP  23  -7.577  -1.732  -1.732
  186    HZ2  TRP  23           HZ2      TRP  23  -6.453  -5.449  -5.449
  187    HZ3  TRP  23           HZ3      TRP  23  -8.617  -1.843  -1.843
  188    HH2  TRP  23           HH2      TRP  23  -8.060  -3.690  -3.690
  189    H    LEU  24           HN       LEU  24  -7.093  -0.782  -0.782
  190    HA   LEU  24           HA       LEU  24  -9.184  -0.815  -0.815
  191   1HB   LEU  24           HB2      LEU  24  -8.026   1.454   1.454
  192   2HB   LEU  24           HB1      LEU  24  -9.127   1.682   1.682
  193    HG   LEU  24           HG       LEU  24  -6.891   2.121   2.121
  194   1HD1  LEU  24          HD12      LEU  24  -8.387  -0.173  -0.173
  195   2HD1  LEU  24          HD11      LEU  24  -6.676  -0.250  -0.250
  196   3HD1  LEU  24          HD13      LEU  24  -7.632   1.150   1.150
  197   1HD2  LEU  24          HD23      LEU  24  -5.826   0.649   0.649
  198   2HD2  LEU  24          HD22      LEU  24  -5.004   0.735   0.735
  199   3HD2  LEU  24          HD21      LEU  24  -5.984  -0.671  -0.671
  200    H    ARG  25           HN       ARG  25  -9.073   0.064   0.064
  201    HA   ARG  25           HA       ARG  25 -11.739   0.915   0.915
  202   1HB   ARG  25           HB2      ARG  25  -9.700  -0.495  -0.495
  203   2HB   ARG  25           HB1      ARG  25 -11.348  -0.421  -0.421
  204   1HG   ARG  25           HG2      ARG  25 -11.291   2.071   2.071
  205   2HG   ARG  25           HG1      ARG  25  -9.578   1.920   1.920
  206   1HD   ARG  25           HD2      ARG  25  -9.276   0.748   0.748
  207   2HD   ARG  25           HD1      ARG  25 -10.925   1.241   1.241
  208    HE   ARG  25           HE       ARG  25  -9.667   3.612   3.612
  209   1HH1  ARG  25          HH21      ARG  25  -7.179   2.257   2.257
  210   2HH1  ARG  25          HH22      ARG  25  -7.210   2.754   2.754
  211   1HH2  ARG  25          HH11      ARG  25 -10.547   3.756   3.756
  212   2HH2  ARG  25          HH12      ARG  25  -9.129   3.608   3.608
  213    H    LYS  26           HN       LYS  26 -10.494  -2.450  -2.450
  214    HA   LYS  26           HA       LYS  26 -13.053  -3.708  -3.708
  215   1HB   LYS  26           HB2      LYS  26 -10.577  -4.817  -4.817
  216   2HB   LYS  26           HB1      LYS  26 -11.947  -5.782  -5.782
  217   1HG   LYS  26           HG2      LYS  26 -11.372  -5.606  -5.606
  218   2HG   LYS  26           HG1      LYS  26 -10.671  -3.999  -3.999
  219   1HD   LYS  26           HD2      LYS  26  -8.821  -5.173  -5.173
  220   2HD   LYS  26           HD1      LYS  26  -9.437  -6.673  -6.673
  221   1HE   LYS  26           HE2      LYS  26  -8.917  -5.990  -5.990
  222   2HE   LYS  26           HE1      LYS  26  -8.705  -4.307  -4.307
  223   1HZ   LYS  26           HZ2      LYS  26  -6.969  -6.564  -6.564
  224   2HZ   LYS  26           HZ1      LYS  26  -6.584  -5.446  -5.446
  225   3HZ   LYS  26           HZ3      LYS  26  -6.749  -4.924  -4.924
  226    H    LYS  27           HN       LYS  27 -11.248  -2.969  -2.969
  227    HA   LYS  27           HA       LYS  27 -13.004  -4.178  -4.178
  228   1HB   LYS  27           HB2      LYS  27 -10.850  -2.173  -2.173
  229   2HB   LYS  27           HB1      LYS  27 -12.056  -1.963  -1.963
  230   1HG   LYS  27           HG2      LYS  27 -10.410  -3.461  -3.461
  231   2HG   LYS  27           HG1      LYS  27 -11.815  -4.442  -4.442
  232   1HD   LYS  27           HD2      LYS  27 -10.212  -4.333  -4.333
  233   2HD   LYS  27           HD1      LYS  27  -9.124  -4.671  -4.671
  234   1HE   LYS  27           HE2      LYS  27  -9.779  -6.825  -6.825
  235   2HE   LYS  27           HE1      LYS  27 -11.100  -6.376  -6.376
  236   1HZ   LYS  27           HZ3      LYS  27 -11.333  -5.885  -5.885
  237   2HZ   LYS  27           HZ2      LYS  27 -11.635  -7.431  -7.431
  238   3HZ   LYS  27           HZ1      LYS  27 -12.561  -6.110  -6.110
  239    H    LEU  28           HN       LEU  28 -13.036  -0.770  -0.770
  240    HA   LEU  28           HA       LEU  28 -15.478  -0.119  -0.119
  241   1HB   LEU  28           HB2      LEU  28 -15.581   1.903   1.903
  242   2HB   LEU  28           HB1      LEU  28 -14.028   1.711   1.711
  243    HG   LEU  28           HG       LEU  28 -13.578   0.369   0.369
  244   1HD1  LEU  28          HD13      LEU  28 -15.787   1.056   1.056
  245   2HD1  LEU  28          HD12      LEU  28 -15.344   2.745   2.745
  246   3HD1  LEU  28          HD11      LEU  28 -14.462   1.759   1.759
  247   1HD2  LEU  28          HD23      LEU  28 -13.207   3.305   3.305
  248   2HD2  LEU  28          HD22      LEU  28 -12.060   1.999   1.999
  249   3HD2  LEU  28          HD21      LEU  28 -12.422   2.498   2.498
  250    H    GLN  29           HN       GLN  29 -14.812  -1.494  -1.494
  251    HA   GLN  29           HA       GLN  29 -17.392  -1.222  -1.222
  252   1HB   GLN  29           HB2      GLN  29 -15.142  -3.153  -3.153
  253   2HB   GLN  29           HB1      GLN  29 -16.689  -3.451  -3.451
  254   1HG   GLN  29           HG2      GLN  29 -15.683  -0.681  -0.681
  255   2HG   GLN  29           HG1      GLN  29 -14.701  -1.898  -1.898
  256   1HE2  GLN  29          HE21      GLN  29 -18.304  -1.495  -1.495
  257   2HE2  GLN  29          HE22      GLN  29 -18.615  -1.657  -1.657
  258    H    ASP  30           HN       ASP  30 -16.188  -3.515  -3.515
  259    HA   ASP  30           HA       ASP  30 -18.317  -5.418  -5.418
  260   1HB   ASP  30           HB2      ASP  30 -16.664  -4.745  -4.745
  261   2HB   ASP  30           HB1      ASP  30 -17.544  -6.241  -6.241
  262    H    VAL  31           HN       VAL  31 -18.094  -2.327  -2.327
  263    HA   VAL  31           HA       VAL  31 -20.676  -2.724  -2.724
  264    HB   VAL  31           HB       VAL  31 -18.923  -0.259  -0.259
  265   1HG1  VAL  31          HG11      VAL  31 -20.880  -1.631  -1.631
  266   2HG1  VAL  31          HG13      VAL  31 -19.975  -0.165  -0.165
  267   3HG1  VAL  31          HG12      VAL  31 -21.180  -0.151  -0.151
  268   1HG2  VAL  31          HG21      VAL  31 -18.628  -2.889  -2.889
  269   2HG2  VAL  31          HG23      VAL  31 -17.405  -2.074  -2.074
  270   3HG2  VAL  31          HG22      VAL  31 -17.926  -1.370  -1.370
  271    H    HIS  32           HN       HIS  32 -21.131  -2.684  -2.684
  272    HA   HIS  32           HA       HIS  32 -21.996   0.115   0.115
  273   1HB   HIS  32           HB2      HIS  32 -20.957  -2.130  -2.130
  274   2HB   HIS  32           HB1      HIS  32 -22.122  -1.012  -1.012
  275    HD1  HIS  32           HD1      HIS  32 -20.435   0.174   0.174
  276    HD2  HIS  32           HD2      HIS  32 -19.337   0.294   0.294
  277    HE1  HIS  32           HE1      HIS  32 -18.496   1.797   1.797
  278    H    ASN  33           HN       ASN  33 -24.157   0.408   0.408
  279    HA   ASN  33           HA       ASN  33 -25.976  -1.909  -1.909
  280   1HB   ASN  33           HB2      ASN  33 -27.695  -0.306  -0.306
  281   2HB   ASN  33           HB1      ASN  33 -26.234   0.017   0.017
  282   1HD2  ASN  33          HD21      ASN  33 -28.386   1.315   1.315
  283   2HD2  ASN  33          HD22      ASN  33 -27.643   2.838   2.838
  284    H    PHE  34           HN       PHE  34 -27.859  -2.143  -2.143
  285    HA   PHE  34           HA       PHE  34 -27.996  -0.579  -0.579
  286   1HB   PHE  34           HB2      PHE  34 -27.999  -2.820  -2.820
  287   2HB   PHE  34           HB1      PHE  34 -26.457  -2.103  -2.103
  288    HD1  PHE  34           HD1      PHE  34 -28.843  -4.839  -4.839
  289    HD2  PHE  34           HD2      PHE  34 -25.020  -3.141  -3.141
  290    HE1  PHE  34           HE1      PHE  34 -28.224  -6.919  -6.919
  291    HE2  PHE  34           HE2      PHE  34 -24.405  -5.222  -5.222
  292    HZ   PHE  34           HZ       PHE  34 -26.006  -7.111  -7.111

  Start of MODEL    4
    1   1H    SER   1           HT1      SER   1   9.145   8.776   8.776
    2   2H    SER   1           HT3      SER   1   9.157   7.785   7.785
    3   3H    SER   1           HT2      SER   1   8.543   9.368   9.368
    4    HA   SER   1           HA       SER   1   6.726   8.794   8.794
    5   1HB   SER   1           HB2      SER   1   5.568   7.151   7.151
    6   2HB   SER   1           HB1      SER   1   6.256   8.546   8.546
    7    HG   SER   1           HG       SER   1   6.692   6.086   6.086
    8    H    VAL   2           HN       VAL   2   5.778   7.338   7.338
    9    HA   VAL   2           HA       VAL   2   7.318   4.827   4.827
   10    HB   VAL   2           HB       VAL   2   7.628   6.606   6.606
   11   1HG1  VAL   2          HG11      VAL   2   5.389   7.651   7.651
   12   2HG1  VAL   2          HG13      VAL   2   4.672   6.195   6.195
   13   3HG1  VAL   2          HG12      VAL   2   5.774   7.179   7.179
   14   1HG2  VAL   2          HG22      VAL   2   6.128   4.138   4.138
   15   2HG2  VAL   2          HG21      VAL   2   7.864   4.256   4.256
   16   3HG2  VAL   2          HG23      VAL   2   7.123   5.155   5.155
   17    H    SER   3           HN       SER   3   6.149   2.980   2.980
   18    HA   SER   3           HA       SER   3   3.241   2.954   2.954
   19   1HB   SER   3           HB2      SER   3   3.712   3.228   3.228
   20   2HB   SER   3           HB1      SER   3   4.319   1.576   1.576
   21    HG   SER   3           HG       SER   3   1.954   2.014   2.014
   22    H    GLU   4           HN       GLU   4   2.937   1.348   1.348
   23    HA   GLU   4           HA       GLU   4   2.953  -0.791  -0.791
   24   1HB   GLU   4           HB2      GLU   4   3.982  -1.531  -1.531
   25   2HB   GLU   4           HB1      GLU   4   5.395  -1.787  -1.787
   26   1HG   GLU   4           HG2      GLU   4   2.629  -2.928  -2.928
   27   2HG   GLU   4           HG1      GLU   4   3.963  -3.827  -3.827
   28    H    ILE   5           HN       ILE   5   6.113   0.716   0.716
   29    HA   ILE   5           HA       ILE   5   7.390  -0.062  -0.062
   30    HB   ILE   5           HB       ILE   5   7.993   2.323   2.323
   31   1HG1  ILE   5          HG12      ILE   5   8.175   0.306   0.306
   32   2HG1  ILE   5          HG11      ILE   5   9.806   0.819   0.819
   33   1HG2  ILE   5          HG22      ILE   5   9.521   0.989   0.989
   34   2HG2  ILE   5          HG21      ILE   5  10.341   1.943   1.943
   35   3HG2  ILE   5          HG23      ILE   5   9.131   2.698   2.698
   36   1HD1  ILE   5          HD13      ILE   5   9.496  -0.820  -0.820
   37   2HD1  ILE   5          HD12      ILE   5   8.243  -1.533  -1.533
   38   3HD1  ILE   5          HD11      ILE   5   9.910  -1.468  -1.468
   39    H    GLN   6           HN       GLN   6   5.428   2.713   2.713
   40    HA   GLN   6           HA       GLN   6   5.639   4.310   4.310
   41   1HB   GLN   6           HB2      GLN   6   4.716   5.000   5.000
   42   2HB   GLN   6           HB1      GLN   6   3.229   4.194   4.194
   43   1HG   GLN   6           HG2      GLN   6   4.317   6.064   6.064
   44   2HG   GLN   6           HG1      GLN   6   3.789   6.827   6.827
   45   1HE2  GLN   6          HE21      GLN   6   2.668   5.284   5.284
   46   2HE2  GLN   6          HE22      GLN   6   1.012   5.378   5.378
   47    H    LEU   7           HN       LEU   7   3.279   1.835   1.835
   48    HA   LEU   7           HA       LEU   7   1.579   1.866   1.866
   49   1HB   LEU   7           HB2      LEU   7   0.871   0.817   0.817
   50   2HB   LEU   7           HB1      LEU   7   2.188  -0.347  -0.347
   51    HG   LEU   7           HG       LEU   7   0.424  -0.266  -0.266
   52   1HD1  LEU   7          HD13      LEU   7  -0.573  -1.176  -1.176
   53   2HD1  LEU   7          HD12      LEU   7  -1.312  -1.659  -1.659
   54   3HD1  LEU   7          HD11      LEU   7  -1.301   0.039   0.039
   55   1HD2  LEU   7          HD22      LEU   7   1.717  -2.356  -2.356
   56   2HD2  LEU   7          HD21      LEU   7   2.060  -1.990  -1.990
   57   3HD2  LEU   7          HD23      LEU   7   0.557  -2.800  -2.800
   58    H    MET   8           HN       MET   8   4.470  -0.114  -0.114
   59    HA   MET   8           HA       MET   8   4.517  -1.792  -1.792
   60   1HB   MET   8           HB2      MET   8   6.722  -0.711  -0.711
   61   2HB   MET   8           HB1      MET   8   7.068  -1.793  -1.793
   62   1HG   MET   8           HG2      MET   8   4.895  -2.625  -2.625
   63   2HG   MET   8           HG1      MET   8   6.547  -2.704  -2.704
   64   1HE   MET   8           HE1      MET   8   5.326  -5.181  -5.181
   65   2HE   MET   8           HE3      MET   8   5.221  -6.312  -6.312
   66   3HE   MET   8           HE2      MET   8   4.073  -4.980  -4.980
   67    H    HIS   9           HN       HIS   9   5.938   1.466   1.466
   68    HA   HIS   9           HA       HIS   9   7.069   1.698   1.698
   69   1HB   HIS   9           HB2      HIS   9   7.593   3.078   3.078
   70   2HB   HIS   9           HB1      HIS   9   6.216   4.063   4.063
   71    HD1  HIS   9           HD1      HIS   9   9.732   3.207   3.207
   72    HD2  HIS   9           HD2      HIS   9   6.608   5.534   5.534
   73    HE1  HIS   9           HE1      HIS   9  10.729   4.681   4.681
   74    H    ASN  10           HN       ASN  10   3.989   2.783   2.783
   75    HA   ASN  10           HA       ASN  10   2.920   4.160   4.160
   76   1HB   ASN  10           HB2      ASN  10   1.285   4.610   4.610
   77   2HB   ASN  10           HB1      ASN  10   2.078   3.563   3.563
   78   1HD2  ASN  10          HD21      ASN  10  -0.449   3.571   3.571
   79   2HD2  ASN  10          HD22      ASN  10  -1.287   2.231   2.231
   80    H    LEU  11           HN       LEU  11   2.702   0.750   0.750
   81    HA   LEU  11           HA       LEU  11   0.959  -0.185  -0.185
   82   1HB   LEU  11           HB2      LEU  11   1.659  -1.457  -1.457
   83   2HB   LEU  11           HB1      LEU  11   3.195  -1.782  -1.782
   84    HG   LEU  11           HG       LEU  11   1.854  -2.771  -2.771
   85   1HD1  LEU  11          HD13      LEU  11  -0.354  -2.408  -2.408
   86   2HD1  LEU  11          HD12      LEU  11  -0.463  -3.571  -3.571
   87   3HD1  LEU  11          HD11      LEU  11  -0.324  -1.850  -1.850
   88   1HD2  LEU  11          HD22      LEU  11   2.992  -4.172  -4.172
   89   2HD2  LEU  11          HD21      LEU  11   1.469  -4.907  -4.907
   90   3HD2  LEU  11          HD23      LEU  11   1.576  -4.071  -4.071
   91    H    GLY  12           HN       GLY  12   4.560   0.103   0.103
   92   1HA   GLY  12           HA2      GLY  12   5.120  -1.118  -1.118
   93   2HA   GLY  12           HA1      GLY  12   6.096   0.156   0.156
   94    H    LYS  13           HN       LYS  13   4.299   2.297   2.297
   95    HA   LYS  13           HA       LYS  13   4.305   3.225   3.225
   96   1HB   LYS  13           HB2      LYS  13   4.236   4.493   4.493
   97   2HB   LYS  13           HB1      LYS  13   2.526   4.563   4.563
   98   1HG   LYS  13           HG2      LYS  13   4.310   5.247   5.247
   99   2HG   LYS  13           HG1      LYS  13   4.444   6.346   6.346
  100   1HD   LYS  13           HD2      LYS  13   1.965   6.609   6.609
  101   2HD   LYS  13           HD1      LYS  13   1.883   5.588   5.588
  102   1HE   LYS  13           HE2      LYS  13   3.827   7.776   7.776
  103   2HE   LYS  13           HE1      LYS  13   2.181   8.348   8.348
  104   1HZ   LYS  13           HZ1      LYS  13   2.999   6.383   6.383
  105   2HZ   LYS  13           HZ3      LYS  13   2.675   8.025   8.025
  106   3HZ   LYS  13           HZ2      LYS  13   1.429   6.991   6.991
  107    H    HIS  14           HN       HIS  14   1.812   1.932   1.932
  108    HA   HIS  14           HA       HIS  14  -0.534   2.302   2.302
  109   1HB   HIS  14           HB2      HIS  14  -0.499   1.594   1.594
  110   2HB   HIS  14           HB1      HIS  14   0.161   0.046   0.046
  111    HD1  HIS  14           HD1      HIS  14  -2.969   2.146   2.146
  112    HD2  HIS  14           HD2      HIS  14  -1.731  -1.831  -1.831
  113    HE1  HIS  14           HE1      HIS  14  -5.052   0.753   0.753
  114    H    LEU  15           HN       LEU  15   1.798  -0.398  -0.398
  115    HA   LEU  15           HA       LEU  15   0.524  -2.101  -2.101
  116   1HB   LEU  15           HB2      LEU  15   3.295  -1.940  -1.940
  117   2HB   LEU  15           HB1      LEU  15   2.927  -3.101  -3.101
  118    HG   LEU  15           HG       LEU  15   1.689  -4.442  -4.442
  119   1HD1  LEU  15          HD13      LEU  15  -0.042  -2.645  -2.645
  120   2HD1  LEU  15          HD12      LEU  15   0.955  -2.139  -2.139
  121   3HD1  LEU  15          HD11      LEU  15   0.257  -3.752  -3.752
  122   1HD2  LEU  15          HD21      LEU  15   3.341  -2.830  -2.830
  123   2HD2  LEU  15          HD23      LEU  15   3.876  -4.243  -4.243
  124   3HD2  LEU  15          HD22      LEU  15   2.640  -4.411  -4.411
  125    H    ASN  16           HN       ASN  16   2.904   0.533   0.533
  126    HA   ASN  16           HA       ASN  16   3.334  -0.054  -0.054
  127   1HB   ASN  16           HB2      ASN  16   4.668   1.679   1.679
  128   2HB   ASN  16           HB1      ASN  16   4.898   2.022   2.022
  129   1HD2  ASN  16          HD21      ASN  16   5.316  -0.557  -0.557
  130   2HD2  ASN  16          HD22      ASN  16   6.509  -1.399  -1.399
  131    H    SER  17           HN       SER  17   0.964   1.662   1.662
  132    HA   SER  17           HA       SER  17   0.595   3.481   3.481
  133   1HB   SER  17           HB2      SER  17   1.746   4.565   4.565
  134   2HB   SER  17           HB1      SER  17   0.101   4.592   4.592
  135    HG   SER  17           HG       SER  17  -0.478   5.975   5.975
  136    H    MET  18           HN       MET  18  -0.957   2.628   2.628
  137    HA   MET  18           HA       MET  18  -3.632   2.978   2.978
  138   1HB   MET  18           HB2      MET  18  -2.493   2.270   2.270
  139   2HB   MET  18           HB1      MET  18  -4.046   1.519   1.519
  140   1HG   MET  18           HG2      MET  18  -3.589   4.472   4.472
  141   2HG   MET  18           HG1      MET  18  -4.089   3.841   3.841
  142   1HE   MET  18           HE2      MET  18  -5.923   2.676   2.676
  143   2HE   MET  18           HE1      MET  18  -6.382   1.484   1.484
  144   3HE   MET  18           HE3      MET  18  -7.518   2.757   2.757
  145    H    GLU  19           HN       GLU  19  -1.363   0.293   0.293
  146    HA   GLU  19           HA       GLU  19  -3.385  -1.804  -1.804
  147   1HB   GLU  19           HB2      GLU  19  -0.622  -1.771  -1.771
  148   2HB   GLU  19           HB1      GLU  19  -0.752  -2.408  -2.408
  149   1HG   GLU  19           HG2      GLU  19  -1.176  -4.390  -4.390
  150   2HG   GLU  19           HG1      GLU  19  -2.789  -3.741  -3.741
  151    H    ARG  20           HN       ARG  20  -1.357   0.311   0.311
  152    HA   ARG  20           HA       ARG  20  -1.817  -0.639  -0.639
  153   1HB   ARG  20           HB2      ARG  20  -1.620   2.252   2.252
  154   2HB   ARG  20           HB1      ARG  20  -1.245   1.648   1.648
  155   1HG   ARG  20           HG2      ARG  20   0.432   0.115   0.115
  156   2HG   ARG  20           HG1      ARG  20   0.332   1.559   1.559
  157   1HD   ARG  20           HD2      ARG  20   1.288   1.350   1.350
  158   2HD   ARG  20           HD1      ARG  20   2.197   1.903   1.903
  159    HE   ARG  20           HE       ARG  20   0.378   3.522   3.522
  160   1HH1  ARG  20          HH11      ARG  20   2.952   4.240   4.240
  161   2HH1  ARG  20          HH12      ARG  20   2.276   5.365   5.365
  162   1HH2  ARG  20          HH21      ARG  20  -1.023   4.476   4.476
  163   2HH2  ARG  20          HH22      ARG  20   0.010   5.500   5.500
  164    H    VAL  21           HN       VAL  21  -3.349   2.096   2.096
  165    HA   VAL  21           HA       VAL  21  -5.587   2.531   2.531
  166    HB   VAL  21           HB       VAL  21  -4.826   4.117   4.117
  167   1HG1  VAL  21          HG11      VAL  21  -4.108   2.308   2.308
  168   2HG1  VAL  21          HG13      VAL  21  -5.787   2.117   2.117
  169   3HG1  VAL  21          HG12      VAL  21  -4.950   3.638   3.638
  170   1HG2  VAL  21          HG22      VAL  21  -7.334   4.003   4.003
  171   2HG2  VAL  21          HG21      VAL  21  -6.925   4.748   4.748
  172   3HG2  VAL  21          HG23      VAL  21  -7.522   3.090   3.090
  173    H    GLU  22           HN       GLU  22  -5.225   0.264   0.264
  174    HA   GLU  22           HA       GLU  22  -7.970  -0.461  -0.461
  175   1HB   GLU  22           HB2      GLU  22  -5.391  -1.620  -1.620
  176   2HB   GLU  22           HB1      GLU  22  -6.739  -2.754  -2.754
  177   1HG   GLU  22           HG2      GLU  22  -7.330  -0.106  -0.106
  178   2HG   GLU  22           HG1      GLU  22  -6.328  -1.203  -1.203
  179    H    TRP  23           HN       TRP  23  -5.558  -1.479  -1.479
  180    HA   TRP  23           HA       TRP  23  -6.846  -3.805  -3.805
  181   1HB   TRP  23           HB2      TRP  23  -4.532  -2.964  -2.964
  182   2HB   TRP  23           HB1      TRP  23  -5.249  -1.594  -1.594
  183    HD1  TRP  23           HD1      TRP  23  -3.995  -4.823  -4.823
  184    HE1  TRP  23           HE1      TRP  23  -4.548  -5.837  -5.837
  185    HE3  TRP  23           HE3      TRP  23  -7.499  -1.530  -1.530
  186    HZ2  TRP  23           HZ2      TRP  23  -6.285  -5.251  -5.251
  187    HZ3  TRP  23           HZ3      TRP  23  -8.591  -1.732  -1.732
  188    HH2  TRP  23           HH2      TRP  23  -7.993  -3.585  -3.585
  189    H    LEU  24           HN       LEU  24  -6.903  -0.431  -0.431
  190    HA   LEU  24           HA       LEU  24  -9.028  -0.513  -0.513
  191   1HB   LEU  24           HB2      LEU  24  -7.738   1.759   1.759
  192   2HB   LEU  24           HB1      LEU  24  -8.885   2.009   2.009
  193    HG   LEU  24           HG       LEU  24  -6.689   2.340   2.340
  194   1HD1  LEU  24          HD13      LEU  24  -8.263   0.039   0.039
  195   2HD1  LEU  24          HD12      LEU  24  -6.567  -0.094  -0.094
  196   3HD1  LEU  24          HD11      LEU  24  -7.508   1.308   1.308
  197   1HD2  LEU  24          HD21      LEU  24  -5.607   0.910   0.910
  198   2HD2  LEU  24          HD23      LEU  24  -4.813   0.959   0.959
  199   3HD2  LEU  24          HD22      LEU  24  -5.792  -0.433  -0.433
  200    H    ARG  25           HN       ARG  25  -8.844   0.690   0.690
  201    HA   ARG  25           HA       ARG  25 -11.570   1.486   1.486
  202   1HB   ARG  25           HB2      ARG  25  -9.696   2.064   2.064
  203   2HB   ARG  25           HB1      ARG  25  -9.689   0.397   0.397
  204   1HG   ARG  25           HG2      ARG  25 -12.005   0.634   0.634
  205   2HG   ARG  25           HG1      ARG  25 -12.059   2.288   2.288
  206   1HD   ARG  25           HD2      ARG  25 -11.596   2.363   2.363
  207   2HD   ARG  25           HD1      ARG  25 -10.137   2.846   2.846
  208    HE   ARG  25           HE       ARG  25  -9.239   0.563   0.563
  209   1HH1  ARG  25          HH21      ARG  25 -12.092  -0.457  -0.457
  210   2HH1  ARG  25          HH22      ARG  25 -11.878  -0.703  -0.703
  211   1HH2  ARG  25          HH11      ARG  25  -8.903   1.110   1.110
  212   2HH2  ARG  25          HH12      ARG  25 -10.055   0.190   0.190
  213    H    LYS  26           HN       LYS  26 -10.005  -1.670  -1.670
  214    HA   LYS  26           HA       LYS  26 -12.490  -2.919  -2.919
  215   1HB   LYS  26           HB2      LYS  26 -10.030  -3.634  -3.634
  216   2HB   LYS  26           HB1      LYS  26 -10.118  -4.478  -4.478
  217   1HG   LYS  26           HG2      LYS  26 -12.499  -5.206  -5.206
  218   2HG   LYS  26           HG1      LYS  26 -11.397  -5.123  -5.123
  219   1HD   LYS  26           HD2      LYS  26 -11.044  -7.312  -7.312
  220   2HD   LYS  26           HD1      LYS  26  -9.783  -6.476  -6.476
  221   1HE   LYS  26           HE2      LYS  26 -10.694  -7.150  -7.150
  222   2HE   LYS  26           HE1      LYS  26 -12.216  -6.370  -6.370
  223   1HZ   LYS  26           HZ2      LYS  26 -12.658  -8.418  -8.418
  224   2HZ   LYS  26           HZ1      LYS  26 -11.364  -9.148  -9.148
  225   3HZ   LYS  26           HZ3      LYS  26 -12.731  -8.624  -8.624
  226    H    LYS  27           HN       LYS  27 -10.992  -2.382  -2.382
  227    HA   LYS  27           HA       LYS  27 -12.322  -4.448  -4.448
  228   1HB   LYS  27           HB2      LYS  27 -10.598  -2.262  -2.262
  229   2HB   LYS  27           HB1      LYS  27 -12.052  -1.998  -1.998
  230   1HG   LYS  27           HG2      LYS  27 -10.606  -3.332  -3.332
  231   2HG   LYS  27           HG1      LYS  27 -11.853  -4.419  -4.419
  232   1HD   LYS  27           HD2      LYS  27 -10.317  -5.139  -5.139
  233   2HD   LYS  27           HD1      LYS  27  -9.067  -4.094  -4.094
  234   1HE   LYS  27           HE2      LYS  27  -8.519  -6.134  -6.134
  235   2HE   LYS  27           HE1      LYS  27  -9.544  -5.419  -5.419
  236   1HZ   LYS  27           HZ1      LYS  27 -10.474  -7.305  -7.305
  237   2HZ   LYS  27           HZ3      LYS  27 -10.153  -7.723  -7.723
  238   3HZ   LYS  27           HZ2      LYS  27 -11.423  -6.653  -6.653
  239    H    LEU  28           HN       LEU  28 -13.349  -1.253  -1.253
  240    HA   LEU  28           HA       LEU  28 -15.970  -1.429  -1.429
  241   1HB   LEU  28           HB2      LEU  28 -15.084   0.671   0.671
  242   2HB   LEU  28           HB1      LEU  28 -16.374   0.801   0.801
  243    HG   LEU  28           HG       LEU  28 -13.758   0.189   0.189
  244   1HD1  LEU  28          HD13      LEU  28 -13.049   1.610   1.610
  245   2HD1  LEU  28          HD12      LEU  28 -14.140   2.874   2.874
  246   3HD1  LEU  28          HD11      LEU  28 -12.765   2.380   2.380
  247   1HD2  LEU  28          HD22      LEU  28 -15.839   0.894   0.894
  248   2HD2  LEU  28          HD21      LEU  28 -14.453   1.933   1.933
  249   3HD2  LEU  28          HD23      LEU  28 -15.710   2.472   2.472
  250    H    GLN  29           HN       GLN  29 -14.579  -1.413  -1.413
  251    HA   GLN  29           HA       GLN  29 -16.938  -1.688  -1.688
  252   1HB   GLN  29           HB2      GLN  29 -14.094  -1.883  -1.883
  253   2HB   GLN  29           HB1      GLN  29 -14.911  -3.178  -3.178
  254   1HG   GLN  29           HG2      GLN  29 -15.130  -1.583  -1.583
  255   2HG   GLN  29           HG1      GLN  29 -16.540  -1.119  -1.119
  256   1HE2  GLN  29          HE21      GLN  29 -15.769   0.478   0.478
  257   2HE2  GLN  29          HE22      GLN  29 -14.733   1.724   1.724
  258    H    ASP  30           HN       ASP  30 -14.919  -4.130  -4.130
  259    HA   ASP  30           HA       ASP  30 -16.965  -6.214  -6.214
  260   1HB   ASP  30           HB2      ASP  30 -14.435  -6.185  -6.185
  261   2HB   ASP  30           HB1      ASP  30 -14.129  -6.973  -6.973
  262    H    VAL  31           HN       VAL  31 -15.917  -8.117  -8.117
  263    HA   VAL  31           HA       VAL  31 -16.071  -8.788  -8.788
  264    HB   VAL  31           HB       VAL  31 -14.887  -6.129  -6.129
  265   1HG1  VAL  31          HG13      VAL  31 -14.566  -9.014  -9.014
  266   2HG1  VAL  31          HG12      VAL  31 -13.548  -7.704  -7.704
  267   3HG1  VAL  31          HG11      VAL  31 -15.280  -7.686  -7.686
  268   1HG2  VAL  31          HG23      VAL  31 -13.536  -8.323  -8.323
  269   2HG2  VAL  31          HG22      VAL  31 -13.505  -6.583  -6.583
  270   3HG2  VAL  31          HG21      VAL  31 -12.618  -7.264  -7.264
  271    H    HIS  32           HN       HIS  32 -18.319  -7.119  -7.119
  272    HA   HIS  32           HA       HIS  32 -19.536  -6.112  -6.112
  273   1HB   HIS  32           HB2      HIS  32 -19.637  -5.085  -5.085
  274   2HB   HIS  32           HB1      HIS  32 -21.009  -4.800  -4.800
  275    HD1  HIS  32           HD1      HIS  32 -20.652  -2.304  -2.304
  276    HD2  HIS  32           HD2      HIS  32 -17.250  -4.534  -4.534
  277    HE1  HIS  32           HE1      HIS  32 -19.029  -0.719  -0.719
  278    H    ASN  33           HN       ASN  33 -21.500  -7.022  -7.022
  279    HA   ASN  33           HA       ASN  33 -22.766  -8.909  -8.909
  280   1HB   ASN  33           HB2      ASN  33 -22.404  -9.170  -9.170
  281   2HB   ASN  33           HB1      ASN  33 -23.527 -10.175 -10.175
  282   1HD2  ASN  33          HD21      ASN  33 -22.616 -11.786 -11.786
  283   2HD2  ASN  33          HD22      ASN  33 -20.962 -12.167 -12.167
  284    H    PHE  34           HN       PHE  34 -23.555  -7.075  -7.075
  285    HA   PHE  34           HA       PHE  34 -25.351  -5.693  -5.693
  286   1HB   PHE  34           HB2      PHE  34 -25.182  -4.965  -4.965
  287   2HB   PHE  34           HB1      PHE  34 -26.508  -6.084  -6.084
  288    HD1  PHE  34           HD2      PHE  34 -28.740  -5.698  -5.698
  289    HD2  PHE  34           HD1      PHE  34 -25.522  -2.928  -2.928
  290    HE1  PHE  34           HE2      PHE  34 -30.361  -4.004  -4.004
  291    HE2  PHE  34           HE1      PHE  34 -27.147  -1.234  -1.234
  292    HZ   PHE  34           HZ       PHE  34 -29.566  -1.772  -1.772

  Start of MODEL    5
    1   1H    SER   1           HT3      SER   1  16.096   8.236   8.236
    2   2H    SER   1           HT2      SER   1  17.244   8.999   8.999
    3   3H    SER   1           HT1      SER   1  15.726   8.568   8.568
    4    HA   SER   1           HA       SER   1  17.405   7.014   7.014
    5   1HB   SER   1           HB2      SER   1  17.891   6.740   6.740
    6   2HB   SER   1           HB1      SER   1  18.400   5.503   5.503
    7    HG   SER   1           HG       SER   1  20.078   6.960   6.960
    8    H    VAL   2           HN       VAL   2  16.737   4.859   4.859
    9    HA   VAL   2           HA       VAL   2  14.144   4.065   4.065
   10    HB   VAL   2           HB       VAL   2  14.211   4.596   4.596
   11   1HG1  VAL   2          HG13      VAL   2  16.428   3.419   3.419
   12   2HG1  VAL   2          HG12      VAL   2  15.557   1.893   1.893
   13   3HG1  VAL   2          HG11      VAL   2  15.154   3.014   3.014
   14   1HG2  VAL   2          HG22      VAL   2  12.501   3.122   3.122
   15   2HG2  VAL   2          HG21      VAL   2  12.626   2.911   2.911
   16   3HG2  VAL   2          HG23      VAL   2  13.383   1.744   1.744
   17    H    SER   3           HN       SER   3  13.779   1.755   1.755
   18    HA   SER   3           HA       SER   3  14.317  -0.403  -0.403
   19   1HB   SER   3           HB2      SER   3  15.858  -0.329  -0.329
   20   2HB   SER   3           HB1      SER   3  17.164  -0.082  -0.082
   21    HG   SER   3           HG       SER   3  16.798  -2.050  -2.050
   22    H    GLU   4           HN       GLU   4  14.739  -1.044  -1.044
   23    HA   GLU   4           HA       GLU   4  15.721  -1.301  -1.301
   24   1HB   GLU   4           HB2      GLU   4  17.690   0.918   0.918
   25   2HB   GLU   4           HB1      GLU   4  17.795  -0.257  -0.257
   26   1HG   GLU   4           HG2      GLU   4  18.138  -0.752  -0.752
   27   2HG   GLU   4           HG1      GLU   4  19.316  -1.008  -1.008
   28    H    ILE   5           HN       ILE   5  15.474   2.051   2.051
   29    HA   ILE   5           HA       ILE   5  14.552   3.125   3.125
   30    HB   ILE   5           HB       ILE   5  14.300   4.310   4.310
   31   1HG1  ILE   5          HG12      ILE   5  16.285   5.673   5.673
   32   2HG1  ILE   5          HG11      ILE   5  16.594   3.967   3.967
   33   1HG2  ILE   5          HG22      ILE   5  14.016   5.497   5.497
   34   2HG2  ILE   5          HG21      ILE   5  14.210   6.475   6.475
   35   3HG2  ILE   5          HG23      ILE   5  12.795   5.439   5.439
   36   1HD1  ILE   5          HD11      ILE   5  16.272   3.700   3.700
   37   2HD1  ILE   5          HD13      ILE   5  16.598   5.431   5.431
   38   3HD1  ILE   5          HD12      ILE   5  17.802   4.320   4.320
   39    H    GLN   6           HN       GLN   6  13.036   2.003   2.003
   40    HA   GLN   6           HA       GLN   6  10.304   2.594   2.594
   41   1HB   GLN   6           HB2      GLN   6  11.172   1.993   1.993
   42   2HB   GLN   6           HB1      GLN   6  11.284   0.323   0.323
   43   1HG   GLN   6           HG2      GLN   6   8.679   1.433   1.433
   44   2HG   GLN   6           HG1      GLN   6   9.005   1.605   1.605
   45   1HE2  GLN   6          HE21      GLN   6   8.223  -0.190  -0.190
   46   2HE2  GLN   6          HE22      GLN   6   8.238  -1.786  -1.786
   47    H    LEU   7           HN       LEU   7  12.361  -0.317  -0.317
   48    HA   LEU   7           HA       LEU   7  10.410  -2.027  -2.027
   49   1HB   LEU   7           HB2      LEU   7  12.630  -2.796  -2.796
   50   2HB   LEU   7           HB1      LEU   7  13.418  -1.924  -1.924
   51    HG   LEU   7           HG       LEU   7  11.271  -3.766  -3.766
   52   1HD1  LEU   7          HD13      LEU   7  13.847  -4.830  -4.830
   53   2HD1  LEU   7          HD12      LEU   7  12.676  -5.781  -5.781
   54   3HD1  LEU   7          HD11      LEU   7  12.225  -5.087  -5.087
   55   1HD2  LEU   7          HD21      LEU   7  14.163  -3.283  -3.283
   56   2HD2  LEU   7          HD23      LEU   7  12.732  -2.620  -2.620
   57   3HD2  LEU   7          HD22      LEU   7  13.052  -4.352  -4.352
   58    H    MET   8           HN       MET   8  12.814   0.217   0.217
   59    HA   MET   8           HA       MET   8  12.125  -0.158  -0.158
   60   1HB   MET   8           HB2      MET   8  13.453   2.019   2.019
   61   2HB   MET   8           HB1      MET   8  12.955   2.375   2.375
   62   1HG   MET   8           HG2      MET   8  14.459   0.911   0.911
   63   2HG   MET   8           HG1      MET   8  14.412  -0.186  -0.186
   64   1HE   MET   8           HE1      MET   8  16.076  -0.553  -0.553
   65   2HE   MET   8           HE3      MET   8  17.594   0.336   0.336
   66   3HE   MET   8           HE2      MET   8  17.187  -0.417  -0.417
   67    H    HIS   9           HN       HIS   9  10.879   2.152   2.152
   68    HA   HIS   9           HA       HIS   9   9.019   3.542   3.542
   69   1HB   HIS   9           HB2      HIS   9   9.737   4.257   4.257
   70   2HB   HIS   9           HB1      HIS   9   8.708   2.983   2.983
   71    HD1  HIS   9           HD1      HIS   9   8.538   6.255   6.255
   72    HD2  HIS   9           HD2      HIS   9   5.934   3.536   3.536
   73    HE1  HIS   9           HE1      HIS   9   6.258   7.359   7.359
   74    H    ASN  10           HN       ASN  10   8.675   0.548   0.548
   75    HA   ASN  10           HA       ASN  10   5.878   0.115   0.115
   76   1HB   ASN  10           HB2      ASN  10   8.233  -1.582  -1.582
   77   2HB   ASN  10           HB1      ASN  10   6.804  -2.430  -2.430
   78   1HD2  ASN  10          HD21      ASN  10   7.845  -0.057  -0.057
   79   2HD2  ASN  10          HD22      ASN  10   6.606  -0.455  -0.455
   80    H    LEU  11           HN       LEU  11   8.640  -0.756  -0.756
   81    HA   LEU  11           HA       LEU  11   6.978  -2.131  -2.131
   82   1HB   LEU  11           HB2      LEU  11   9.458  -2.539  -2.539
   83   2HB   LEU  11           HB1      LEU  11   9.751  -0.954  -0.954
   84    HG   LEU  11           HG       LEU  11   8.432  -1.723  -1.723
   85   1HD1  LEU  11          HD13      LEU  11   8.614  -4.351  -4.351
   86   2HD1  LEU  11          HD12      LEU  11   8.320  -4.260  -4.260
   87   3HD1  LEU  11          HD11      LEU  11   7.163  -3.555  -3.555
   88   1HD2  LEU  11          HD21      LEU  11  10.904  -1.705  -1.705
   89   2HD2  LEU  11          HD23      LEU  11  10.294  -3.058  -3.058
   90   3HD2  LEU  11          HD22      LEU  11  10.903  -3.332  -3.332
   91    H    GLY  12           HN       GLY  12   8.280   1.193   1.193
   92   1HA   GLY  12           HA2      GLY  12   7.488   2.230   2.230
   93   2HA   GLY  12           HA1      GLY  12   7.736   3.197   3.197
   94    H    LYS  13           HN       LYS  13   5.766   2.163   2.163
   95    HA   LYS  13           HA       LYS  13   3.350   3.384   3.384
   96   1HB   LYS  13           HB2      LYS  13   2.324   2.829   2.829
   97   2HB   LYS  13           HB1      LYS  13   3.942   3.461   3.461
   98   1HG   LYS  13           HG2      LYS  13   4.814   1.199   1.199
   99   2HG   LYS  13           HG1      LYS  13   3.248   0.506   0.506
  100   1HD   LYS  13           HD2      LYS  13   2.820   2.406   2.406
  101   2HD   LYS  13           HD1      LYS  13   4.200   1.415   1.415
  102   1HE   LYS  13           HE2      LYS  13   1.664   0.166   0.166
  103   2HE   LYS  13           HE1      LYS  13   1.841   0.561   0.561
  104   1HZ   LYS  13           HZ3      LYS  13   3.665  -1.195  -1.195
  105   2HZ   LYS  13           HZ2      LYS  13   2.493  -1.721  -1.721
  106   3HZ   LYS  13           HZ1      LYS  13   3.828  -0.821  -0.821
  107    H    HIS  14           HN       HIS  14   4.604   0.118   0.118
  108    HA   HIS  14           HA       HIS  14   2.235  -1.399  -1.399
  109   1HB   HIS  14           HB2      HIS  14   4.491  -2.339  -2.339
  110   2HB   HIS  14           HB1      HIS  14   4.925  -1.953  -1.953
  111    HD1  HIS  14           HD1      HIS  14   1.687  -3.570  -3.570
  112    HD2  HIS  14           HD2      HIS  14   5.010  -4.455  -4.455
  113    HE1  HIS  14           HE1      HIS  14   1.232  -5.825  -5.825
  114    H    LEU  15           HN       LEU  15   3.680   0.697   0.697
  115    HA   LEU  15           HA       LEU  15   1.534  -0.097  -0.097
  116   1HB   LEU  15           HB2      LEU  15   3.494   0.778   0.778
  117   2HB   LEU  15           HB1      LEU  15   3.038  -0.891  -0.891
  118    HG   LEU  15           HG       LEU  15   5.490  -0.550  -0.550
  119   1HD1  LEU  15          HD11      LEU  15   4.001  -2.111  -2.111
  120   2HD1  LEU  15          HD13      LEU  15   5.048  -1.246  -1.246
  121   3HD1  LEU  15          HD12      LEU  15   5.753  -2.200  -2.200
  122   1HD2  LEU  15          HD22      LEU  15   4.999   1.782   1.782
  123   2HD2  LEU  15          HD21      LEU  15   6.561   0.971   0.971
  124   3HD2  LEU  15          HD23      LEU  15   5.450   0.751   0.751
  125    H    ASN  16           HN       ASN  16   0.553   1.595   1.595
  126    HA   ASN  16           HA       ASN  16  -0.170   3.757   3.757
  127   1HB   ASN  16           HB2      ASN  16   2.738   3.919   3.919
  128   2HB   ASN  16           HB1      ASN  16   2.011   5.438   5.438
  129   1HD2  ASN  16          HD21      ASN  16   0.652   6.590   6.590
  130   2HD2  ASN  16          HD22      ASN  16   0.609   6.139   6.139
  131    H    SER  17           HN       SER  17   0.518   2.789   2.789
  132    HA   SER  17           HA       SER  17  -0.371   5.454   5.454
  133   1HB   SER  17           HB2      SER  17   1.396   3.518   3.518
  134   2HB   SER  17           HB1      SER  17   1.001   5.169   5.169
  135    HG   SER  17           HG       SER  17   2.712   4.199   4.199
  136    H    MET  18           HN       MET  18  -0.590   4.103   4.103
  137    HA   MET  18           HA       MET  18  -3.376   3.397   3.397
  138   1HB   MET  18           HB2      MET  18  -1.890   4.277   4.277
  139   2HB   MET  18           HB1      MET  18  -1.820   2.555   2.555
  140   1HG   MET  18           HG2      MET  18  -4.453   2.750   2.750
  141   2HG   MET  18           HG1      MET  18  -4.159   4.407   4.407
  142   1HE   MET  18           HE3      MET  18  -4.900   0.902   0.902
  143   2HE   MET  18           HE2      MET  18  -6.043   2.169   2.169
  144   3HE   MET  18           HE1      MET  18  -5.292   1.188   1.188
  145    H    GLU  19           HN       GLU  19  -0.594   1.385   1.385
  146    HA   GLU  19           HA       GLU  19  -1.999  -1.124  -1.124
  147   1HB   GLU  19           HB2      GLU  19   0.633  -0.690  -0.690
  148   2HB   GLU  19           HB1      GLU  19  -0.007  -2.247  -2.247
  149   1HG   GLU  19           HG2      GLU  19  -0.132  -0.848  -0.848
  150   2HG   GLU  19           HG1      GLU  19   1.260  -0.074  -0.074
  151    H    ARG  20           HN       ARG  20  -1.181   0.840   0.840
  152    HA   ARG  20           HA       ARG  20  -2.077  -0.823  -0.823
  153   1HB   ARG  20           HB2      ARG  20  -0.730   1.283   1.283
  154   2HB   ARG  20           HB1      ARG  20  -2.156   2.192   2.192
  155   1HG   ARG  20           HG2      ARG  20  -1.950   2.261   2.261
  156   2HG   ARG  20           HG1      ARG  20  -3.345   1.276   1.276
  157   1HD   ARG  20           HD2      ARG  20  -2.357  -0.691  -0.691
  158   2HD   ARG  20           HD1      ARG  20  -0.726  -0.135  -0.135
  159    HE   ARG  20           HE       ARG  20  -2.032   0.100   0.100
  160   1HH1  ARG  20          HH21      ARG  20   0.984   0.223   0.223
  161   2HH1  ARG  20          HH22      ARG  20   1.377   1.815   1.815
  162   1HH2  ARG  20          HH11      ARG  20  -1.952   2.830   2.830
  163   2HH2  ARG  20          HH12      ARG  20  -0.301   3.298   3.298
  164    H    VAL  21           HN       VAL  21  -3.619   1.974   1.974
  165    HA   VAL  21           HA       VAL  21  -6.062   2.184   2.184
  166    HB   VAL  21           HB       VAL  21  -5.321   3.728   3.728
  167   1HG1  VAL  21          HG12      VAL  21  -5.469   1.385   1.385
  168   2HG1  VAL  21          HG11      VAL  21  -5.063   3.036   3.036
  169   3HG1  VAL  21          HG13      VAL  21  -4.010   2.135   2.135
  170   1HG2  VAL  21          HG23      VAL  21  -7.858   3.249   3.249
  171   2HG2  VAL  21          HG22      VAL  21  -7.263   4.004   4.004
  172   3HG2  VAL  21          HG21      VAL  21  -7.618   2.277   2.277
  173    H    GLU  22           HN       GLU  22  -5.294  -0.249  -0.249
  174    HA   GLU  22           HA       GLU  22  -7.905  -1.214  -1.214
  175   1HB   GLU  22           HB2      GLU  22  -5.224  -2.606  -2.606
  176   2HB   GLU  22           HB1      GLU  22  -6.701  -3.449  -3.449
  177   1HG   GLU  22           HG2      GLU  22  -6.039  -0.784  -0.784
  178   2HG   GLU  22           HG1      GLU  22  -5.257  -2.242  -2.242
  179    H    TRP  23           HN       TRP  23  -5.747  -1.995  -1.995
  180    HA   TRP  23           HA       TRP  23  -7.153  -4.095  -4.095
  181   1HB   TRP  23           HB2      TRP  23  -4.852  -3.179  -3.179
  182   2HB   TRP  23           HB1      TRP  23  -5.602  -1.744  -1.744
  183    HD1  TRP  23           HD1      TRP  23  -4.338  -4.902  -4.902
  184    HE1  TRP  23           HE1      TRP  23  -4.934  -5.685  -5.685
  185    HE3  TRP  23           HE3      TRP  23  -7.904  -1.519  -1.519
  186    HZ2  TRP  23           HZ2      TRP  23  -6.724  -4.904  -4.904
  187    HZ3  TRP  23           HZ3      TRP  23  -9.044  -1.513  -1.513
  188    HH2  TRP  23           HH2      TRP  23  -8.462  -3.199  -3.199
  189    H    LEU  24           HN       LEU  24  -7.186  -0.631  -0.631
  190    HA   LEU  24           HA       LEU  24  -9.399  -0.547  -0.547
  191   1HB   LEU  24           HB2      LEU  24  -8.093   1.631   1.631
  192   2HB   LEU  24           HB1      LEU  24  -9.264   1.935   1.935
  193    HG   LEU  24           HG       LEU  24  -7.074   2.364   2.364
  194   1HD1  LEU  24          HD13      LEU  24  -8.672   0.145   0.145
  195   2HD1  LEU  24          HD12      LEU  24  -6.988   0.041   0.041
  196   3HD1  LEU  24          HD11      LEU  24  -7.930   1.484   1.484
  197   1HD2  LEU  24          HD23      LEU  24  -5.941   0.781   0.781
  198   2HD2  LEU  24          HD22      LEU  24  -5.188   0.968   0.968
  199   3HD2  LEU  24          HD21      LEU  24  -6.154  -0.461  -0.461
  200    H    ARG  25           HN       ARG  25  -9.097   0.388   0.388
  201    HA   ARG  25           HA       ARG  25 -11.777   1.172   1.172
  202   1HB   ARG  25           HB2      ARG  25 -10.095   1.600   1.600
  203   2HB   ARG  25           HB1      ARG  25  -9.638  -0.093  -0.093
  204   1HG   ARG  25           HG2      ARG  25 -12.368  -0.059  -0.059
  205   2HG   ARG  25           HG1      ARG  25 -11.675   1.342   1.342
  206   1HD   ARG  25           HD2      ARG  25 -11.495  -0.635  -0.635
  207   2HD   ARG  25           HD1      ARG  25  -9.894  -0.087  -0.087
  208    HE   ARG  25           HE       ARG  25  -9.855  -1.975  -1.975
  209   1HH1  ARG  25          HH21      ARG  25 -12.895  -2.428  -2.428
  210   2HH1  ARG  25          HH22      ARG  25 -12.944  -3.904  -3.904
  211   1HH2  ARG  25          HH11      ARG  25  -9.623  -3.677  -3.677
  212   2HH2  ARG  25          HH12      ARG  25 -11.072  -4.621  -4.621
  213    H    LYS  26           HN       LYS  26 -10.385  -2.121  -2.121
  214    HA   LYS  26           HA       LYS  26 -12.918  -3.384  -3.384
  215   1HB   LYS  26           HB2      LYS  26 -10.533  -4.291  -4.291
  216   2HB   LYS  26           HB1      LYS  26 -10.538  -4.771  -4.771
  217   1HG   LYS  26           HG2      LYS  26 -13.001  -5.675  -5.675
  218   2HG   LYS  26           HG1      LYS  26 -11.836  -6.037  -6.037
  219   1HD   LYS  26           HD2      LYS  26 -11.648  -7.943  -7.943
  220   2HD   LYS  26           HD1      LYS  26 -10.371  -6.938  -6.938
  221   1HE   LYS  26           HE2      LYS  26 -11.613  -7.798  -7.798
  222   2HE   LYS  26           HE1      LYS  26 -12.084  -6.109  -6.109
  223   1HZ   LYS  26           HZ2      LYS  26 -13.642  -8.230  -8.230
  224   2HZ   LYS  26           HZ1      LYS  26 -13.902  -7.887  -7.887
  225   3HZ   LYS  26           HZ3      LYS  26 -14.136  -6.676  -6.676
  226    H    LYS  27           HN       LYS  27 -11.131  -2.750  -2.750
  227    HA   LYS  27           HA       LYS  27 -12.761  -4.344  -4.344
  228   1HB   LYS  27           HB2      LYS  27 -10.430  -2.954  -2.954
  229   2HB   LYS  27           HB1      LYS  27 -11.557  -1.909  -1.909
  230   1HG   LYS  27           HG2      LYS  27 -10.622  -3.541  -3.541
  231   2HG   LYS  27           HG1      LYS  27 -12.332  -3.858  -3.858
  232   1HD   LYS  27           HD2      LYS  27 -11.291  -5.999  -5.999
  233   2HD   LYS  27           HD1      LYS  27 -11.612  -5.562  -5.562
  234   1HE   LYS  27           HE2      LYS  27  -9.012  -4.597  -4.597
  235   2HE   LYS  27           HE1      LYS  27  -9.155  -6.349  -6.349
  236   1HZ   LYS  27           HZ3      LYS  27  -9.910  -6.271  -6.271
  237   2HZ   LYS  27           HZ2      LYS  27  -9.595  -4.600  -4.600
  238   3HZ   LYS  27           HZ1      LYS  27  -8.325  -5.704  -5.704
  239    H    LEU  28           HN       LEU  28 -13.106  -0.953  -0.953
  240    HA   LEU  28           HA       LEU  28 -15.198  -0.279  -0.279
  241   1HB   LEU  28           HB2      LEU  28 -15.674   1.650   1.650
  242   2HB   LEU  28           HB1      LEU  28 -13.934   1.458   1.458
  243    HG   LEU  28           HG       LEU  28 -14.327   0.009   0.009
  244   1HD1  LEU  28          HD13      LEU  28 -16.521   2.092   2.092
  245   2HD1  LEU  28          HD12      LEU  28 -15.904   1.441   1.441
  246   3HD1  LEU  28          HD11      LEU  28 -16.681   0.373   0.373
  247   1HD2  LEU  28          HD23      LEU  28 -12.745   1.884   1.884
  248   2HD2  LEU  28          HD22      LEU  28 -13.590   2.019   2.019
  249   3HD2  LEU  28          HD21      LEU  28 -14.074   3.029   3.029
  250    H    GLN  29           HN       GLN  29 -15.190  -2.090  -2.090
  251    HA   GLN  29           HA       GLN  29 -17.990  -1.961  -1.961
  252   1HB   GLN  29           HB2      GLN  29 -16.103  -4.248  -4.248
  253   2HB   GLN  29           HB1      GLN  29 -17.603  -3.890  -3.890
  254   1HG   GLN  29           HG2      GLN  29 -16.610  -1.727  -1.727
  255   2HG   GLN  29           HG1      GLN  29 -15.100  -2.175  -2.175
  256   1HE2  GLN  29          HE21      GLN  29 -14.769  -4.861  -4.861
  257   2HE2  GLN  29          HE22      GLN  29 -14.708  -5.009  -5.009
  258    H    ASP  30           HN       ASP  30 -16.278  -3.642  -3.642
  259    HA   ASP  30           HA       ASP  30 -18.500  -5.530  -5.530
  260   1HB   ASP  30           HB2      ASP  30 -15.907  -5.494  -5.494
  261   2HB   ASP  30           HB1      ASP  30 -16.963  -6.856  -6.856
  262    H    VAL  31           HN       VAL  31 -17.660  -5.622  -5.622
  263    HA   VAL  31           HA       VAL  31 -19.164  -3.219  -3.219
  264    HB   VAL  31           HB       VAL  31 -19.945  -5.621  -5.621
  265   1HG1  VAL  31          HG13      VAL  31 -17.486  -6.213  -6.213
  266   2HG1  VAL  31          HG12      VAL  31 -18.020  -5.621  -5.621
  267   3HG1  VAL  31          HG11      VAL  31 -18.855  -6.974  -6.974
  268   1HG2  VAL  31          HG23      VAL  31 -19.642  -3.483  -3.483
  269   2HG2  VAL  31          HG22      VAL  31 -21.094  -4.033  -4.033
  270   3HG2  VAL  31          HG21      VAL  31 -20.378  -5.024  -5.024
  271    H    HIS  32           HN       HIS  32 -16.221  -3.241  -3.241
  272    HA   HIS  32           HA       HIS  32 -14.287  -3.343  -3.343
  273   1HB   HIS  32           HB2      HIS  32 -13.371  -1.164  -1.164
  274   2HB   HIS  32           HB1      HIS  32 -13.852  -2.295  -2.295
  275    HD1  HIS  32           HD1      HIS  32 -13.843   1.081   1.081
  276    HD2  HIS  32           HD2      HIS  32 -17.078  -1.525  -1.525
  277    HE1  HIS  32           HE1      HIS  32 -15.724   2.438   2.438
  278    H    ASN  33           HN       ASN  33 -16.656  -0.607  -0.607
  279    HA   ASN  33           HA       ASN  33 -16.421  -0.525  -0.525
  280   1HB   ASN  33           HB2      ASN  33 -14.518   0.937   0.937
  281   2HB   ASN  33           HB1      ASN  33 -15.754   2.143   2.143
  282   1HD2  ASN  33          HD21      ASN  33 -13.715  -0.350  -0.350
  283   2HD2  ASN  33          HD22      ASN  33 -13.718   0.425   0.425
  284    H    PHE  34           HN       PHE  34 -18.599  -0.795  -0.795
  285    HA   PHE  34           HA       PHE  34 -20.352   1.399   1.399
  286   1HB   PHE  34           HB2      PHE  34 -19.905   0.662   0.662
  287   2HB   PHE  34           HB1      PHE  34 -21.347   1.516   1.516
  288    HD1  PHE  34           HD1      PHE  34 -21.199   3.811   3.811
  289    HD2  PHE  34           HD2      PHE  34 -17.718   1.736   1.736
  290    HE1  PHE  34           HE1      PHE  34 -19.942   5.947   5.947
  291    HE2  PHE  34           HE2      PHE  34 -16.459   3.870   3.870
  292    HZ   PHE  34           HZ       PHE  34 -17.571   5.976   5.976

  Start of MODEL    6
    1   1H    SER   1           HT1      SER   1  -2.238  13.281  13.281
    2   2H    SER   1           HT3      SER   1  -3.641  14.236  14.236
    3   3H    SER   1           HT2      SER   1  -2.993  13.746  13.746
    4    HA   SER   1           HA       SER   1  -3.534  11.476  11.476
    5   1HB   SER   1           HB2      SER   1  -6.049  11.673  11.673
    6   2HB   SER   1           HB1      SER   1  -5.353  12.693  12.693
    7    HG   SER   1           HG       SER   1  -6.906  13.648  13.648
    8    H    VAL   2           HN       VAL   2  -4.943  13.344  13.344
    9    HA   VAL   2           HA       VAL   2  -5.083  10.993  10.993
   10    HB   VAL   2           HB       VAL   2  -5.379  13.911  13.911
   11   1HG1  VAL   2          HG12      VAL   2  -6.060  11.342  11.342
   12   2HG1  VAL   2          HG11      VAL   2  -6.741  12.907  12.907
   13   3HG1  VAL   2          HG13      VAL   2  -5.001  12.643  12.643
   14   1HG2  VAL   2          HG21      VAL   2  -7.374  11.802  11.802
   15   2HG2  VAL   2          HG23      VAL   2  -7.063  13.369  13.369
   16   3HG2  VAL   2          HG22      VAL   2  -7.853  13.285  13.285
   17    H    SER   3           HN       SER   3  -2.671  13.399  13.399
   18    HA   SER   3           HA       SER   3  -1.198  13.096  13.096
   19   1HB   SER   3           HB2      SER   3  -0.285  13.980  13.980
   20   2HB   SER   3           HB1      SER   3   0.739  14.048  14.048
   21    HG   SER   3           HG       SER   3  -0.329  15.747  15.747
   22    H    GLU   4           HN       GLU   4  -1.270  11.188  11.188
   23    HA   GLU   4           HA       GLU   4   1.166   9.687   9.687
   24   1HB   GLU   4           HB2      GLU   4  -1.347   9.058   9.058
   25   2HB   GLU   4           HB1      GLU   4   0.074   8.016   8.016
   26   1HG   GLU   4           HG2      GLU   4   0.725   9.279   9.279
   27   2HG   GLU   4           HG1      GLU   4   1.239  10.423  10.423
   28    H    ILE   5           HN       ILE   5  -2.213   9.321   9.321
   29    HA   ILE   5           HA       ILE   5  -1.742   6.715   6.715
   30    HB   ILE   5           HB       ILE   5  -4.089   8.640   8.640
   31   1HG1  ILE   5          HG12      ILE   5  -4.815   6.314   6.314
   32   2HG1  ILE   5          HG11      ILE   5  -3.296   6.865   6.865
   33   1HG2  ILE   5          HG21      ILE   5  -3.752   5.718   5.718
   34   2HG2  ILE   5          HG23      ILE   5  -5.289   6.583   6.583
   35   3HG2  ILE   5          HG22      ILE   5  -3.988   7.074   7.074
   36   1HD1  ILE   5          HD13      ILE   5  -4.334   9.203   9.203
   37   2HD1  ILE   5          HD12      ILE   5  -5.873   8.418   8.418
   38   3HD1  ILE   5          HD11      ILE   5  -5.008   8.029   8.029
   39    H    GLN   6           HN       GLN   6  -2.053  10.143  10.143
   40    HA   GLN   6           HA       GLN   6  -1.827   9.718   9.718
   41   1HB   GLN   6           HB2      GLN   6  -2.564  11.871  11.871
   42   2HB   GLN   6           HB1      GLN   6  -0.935  12.129  12.129
   43   1HG   GLN   6           HG2      GLN   6  -1.277  13.393  13.393
   44   2HG   GLN   6           HG1      GLN   6  -0.064  12.139  12.139
   45   1HE2  GLN   6          HE21      GLN   6  -0.570  10.396  10.396
   46   2HE2  GLN   6          HE22      GLN   6  -1.992  10.385  10.385
   47    H    LEU   7           HN       LEU   7   0.652  10.151  10.151
   48    HA   LEU   7           HA       LEU   7   2.941  10.181  10.181
   49   1HB   LEU   7           HB2      LEU   7   3.026  11.018  11.018
   50   2HB   LEU   7           HB1      LEU   7   2.761   9.379   9.379
   51    HG   LEU   7           HG       LEU   7   5.010   9.660   9.660
   52   1HD1  LEU   7          HD11      LEU   7   5.133  10.879  10.879
   53   2HD1  LEU   7          HD13      LEU   7   6.522  10.603  10.603
   54   3HD1  LEU   7          HD12      LEU   7   5.273  11.755  11.755
   55   1HD2  LEU   7          HD22      LEU   7   4.590   8.340   8.340
   56   2HD2  LEU   7          HD21      LEU   7   4.606   7.549   7.549
   57   3HD2  LEU   7          HD23      LEU   7   6.091   8.235   8.235
   58    H    MET   8           HN       MET   8   1.359   7.599   7.599
   59    HA   MET   8           HA       MET   8   3.054   5.429   5.429
   60   1HB   MET   8           HB2      MET   8   0.181   5.608   5.608
   61   2HB   MET   8           HB1      MET   8   0.865   4.057   4.057
   62   1HG   MET   8           HG2      MET   8   2.626   4.260   4.260
   63   2HG   MET   8           HG1      MET   8   2.091   5.883   5.883
   64   1HE   MET   8           HE1      MET   8   0.790   2.244   2.244
   65   2HE   MET   8           HE3      MET   8   1.992   2.260   2.260
   66   3HE   MET   8           HE2      MET   8   0.315   1.846   1.846
   67    H    HIS   9           HN       HIS   9   0.093   6.686   6.686
   68    HA   HIS   9           HA       HIS   9   0.276   4.724   4.724
   69   1HB   HIS   9           HB2      HIS   9  -1.862   5.791   5.791
   70   2HB   HIS   9           HB1      HIS   9  -1.581   7.073   7.073
   71    HD1  HIS   9           HD1      HIS   9  -2.245   3.336   3.336
   72    HD2  HIS   9           HD2      HIS   9  -2.252   6.400   6.400
   73    HE1  HIS   9           HE1      HIS   9  -3.208   2.349   2.349
   74    H    ASN  10           HN       ASN  10   1.684   7.819   7.819
   75    HA   ASN  10           HA       ASN  10   1.502   9.095   9.095
   76   1HB   ASN  10           HB2      ASN  10   3.066  10.554  10.554
   77   2HB   ASN  10           HB1      ASN  10   2.732   9.755   9.755
   78   1HD2  ASN  10          HD21      ASN  10   5.257  10.743  10.743
   79   2HD2  ASN  10          HD22      ASN  10   6.464   9.718   9.718
   80    H    LEU  11           HN       LEU  11   3.793   6.514   6.514
   81    HA   LEU  11           HA       LEU  11   5.251   6.463   6.463
   82   1HB   LEU  11           HB2      LEU  11   4.796   4.113   4.113
   83   2HB   LEU  11           HB1      LEU  11   6.092   4.288   4.288
   84    HG   LEU  11           HG       LEU  11   5.679   5.956   5.956
   85   1HD1  LEU  11          HD13      LEU  11   7.795   3.961   3.961
   86   2HD1  LEU  11          HD12      LEU  11   7.926   4.993   4.993
   87   3HD1  LEU  11          HD11      LEU  11   6.643   3.788   3.788
   88   1HD2  LEU  11          HD21      LEU  11   7.669   6.228   6.228
   89   2HD2  LEU  11          HD23      LEU  11   6.556   7.454   7.454
   90   3HD2  LEU  11          HD22      LEU  11   7.932   6.950   6.950
   91    H    GLY  12           HN       GLY  12   2.358   4.726   4.726
   92   1HA   GLY  12           HA2      GLY  12   1.909   3.080   3.080
   93   2HA   GLY  12           HA1      GLY  12   0.667   3.572   3.572
   94    H    LYS  13           HN       LYS  13   1.039   6.441   6.441
   95    HA   LYS  13           HA       LYS  13  -0.315   6.802   6.802
   96   1HB   LYS  13           HB2      LYS  13  -0.947   7.770   7.770
   97   2HB   LYS  13           HB1      LYS  13   0.055   9.092   9.092
   98   1HG   LYS  13           HG2      LYS  13  -1.804   8.181   8.181
   99   2HG   LYS  13           HG1      LYS  13  -2.655   8.648   8.648
  100   1HD   LYS  13           HD2      LYS  13  -2.481  10.768  10.768
  101   2HD   LYS  13           HD1      LYS  13  -0.806  10.680  10.680
  102   1HE   LYS  13           HE2      LYS  13  -0.465  11.280  11.280
  103   2HE   LYS  13           HE1      LYS  13  -0.470   9.527   9.527
  104   1HZ   LYS  13           HZ2      LYS  13  -2.859  11.266  11.266
  105   2HZ   LYS  13           HZ1      LYS  13  -1.911  10.657  10.657
  106   3HZ   LYS  13           HZ3      LYS  13  -2.776   9.589   9.589
  107    H    HIS  14           HN       HIS  14   2.513   6.215   6.215
  108    HA   HIS  14           HA       HIS  14   3.633   8.745   8.745
  109   1HB   HIS  14           HB2      HIS  14   4.639   7.109   7.109
  110   2HB   HIS  14           HB1      HIS  14   5.838   7.317   7.317
  111    HD1  HIS  14           HD1      HIS  14   5.055  10.276  10.276
  112    HD2  HIS  14           HD2      HIS  14   5.639   8.929   8.929
  113    HE1  HIS  14           HE1      HIS  14   5.608  12.319  12.319
  114    H    LEU  15           HN       LEU  15   4.291   5.240   5.240
  115    HA   LEU  15           HA       LEU  15   5.840   4.945   4.945
  116   1HB   LEU  15           HB2      LEU  15   4.342   2.514   2.514
  117   2HB   LEU  15           HB1      LEU  15   6.013   2.796   2.796
  118    HG   LEU  15           HG       LEU  15   5.079   3.651   3.651
  119   1HD1  LEU  15          HD13      LEU  15   2.645   2.364   2.364
  120   2HD1  LEU  15          HD12      LEU  15   2.870   2.366   2.366
  121   3HD1  LEU  15          HD11      LEU  15   2.755   3.890   3.890
  122   1HD2  LEU  15          HD21      LEU  15   4.912   0.765   0.765
  123   2HD2  LEU  15          HD23      LEU  15   6.269   1.574   1.574
  124   3HD2  LEU  15          HD22      LEU  15   4.787   1.261   1.261
  125    H    ASN  16           HN       ASN  16   2.386   4.007   4.007
  126    HA   ASN  16           HA       ASN  16   1.941   4.973   4.973
  127   1HB   ASN  16           HB2      ASN  16   1.231   2.260   2.260
  128   2HB   ASN  16           HB1      ASN  16   0.499   2.906   2.906
  129   1HD2  ASN  16          HD21      ASN  16   1.984   3.305   3.305
  130   2HD2  ASN  16          HD22      ASN  16   3.473   2.497   2.497
  131    H    SER  17           HN       SER  17   0.659   4.778   4.778
  132    HA   SER  17           HA       SER  17  -1.353   5.460   5.460
  133   1HB   SER  17           HB2      SER  17  -0.594   7.565   7.565
  134   2HB   SER  17           HB1      SER  17  -1.679   7.094   7.094
  135    HG   SER  17           HG       SER  17  -3.403   7.366   7.366
  136    H    MET  18           HN       MET  18  -1.466   3.062   3.062
  137    HA   MET  18           HA       MET  18  -4.366   2.796   2.796
  138   1HB   MET  18           HB2      MET  18  -2.712   3.224   3.224
  139   2HB   MET  18           HB1      MET  18  -3.368   1.588   1.588
  140   1HG   MET  18           HG2      MET  18  -5.631   2.659   2.659
  141   2HG   MET  18           HG1      MET  18  -4.879   4.198   4.198
  142   1HE   MET  18           HE3      MET  18  -5.966   5.050   5.050
  143   2HE   MET  18           HE2      MET  18  -4.253   4.984   4.984
  144   3HE   MET  18           HE1      MET  18  -5.455   4.540   4.540
  145    H    GLU  19           HN       GLU  19  -1.152   1.210   1.210
  146    HA   GLU  19           HA       GLU  19  -1.887  -1.515  -1.515
  147   1HB   GLU  19           HB2      GLU  19   0.469  -1.778  -1.778
  148   2HB   GLU  19           HB1      GLU  19   0.396  -1.040  -1.040
  149   1HG   GLU  19           HG2      GLU  19   0.853   1.116   1.116
  150   2HG   GLU  19           HG1      GLU  19   0.418   0.664   0.664
  151    H    ARG  20           HN       ARG  20  -1.483   1.047   1.047
  152    HA   ARG  20           HA       ARG  20  -1.885  -0.655  -0.655
  153   1HB   ARG  20           HB2      ARG  20  -1.732   2.368   2.368
  154   2HB   ARG  20           HB1      ARG  20  -1.501   1.416   1.416
  155   1HG   ARG  20           HG2      ARG  20   0.271   0.751   0.751
  156   2HG   ARG  20           HG1      ARG  20   0.532   2.305   2.305
  157   1HD   ARG  20           HD2      ARG  20   1.594   1.310   1.310
  158   2HD   ARG  20           HD1      ARG  20   0.187   0.289   0.289
  159    HE   ARG  20           HE       ARG  20   2.269  -0.430  -0.430
  160   1HH1  ARG  20          HH21      ARG  20  -0.111  -2.147  -2.147
  161   2HH1  ARG  20          HH22      ARG  20   0.289  -3.413  -3.413
  162   1HH2  ARG  20          HH11      ARG  20   2.904  -1.630  -1.630
  163   2HH2  ARG  20          HH12      ARG  20   2.016  -3.118  -3.118
  164    H    VAL  21           HN       VAL  21  -3.652   1.624   1.624
  165    HA   VAL  21           HA       VAL  21  -5.920   1.924   1.924
  166    HB   VAL  21           HB       VAL  21  -6.805   3.352   3.352
  167   1HG1  VAL  21          HG12      VAL  21  -4.501   3.942   3.942
  168   2HG1  VAL  21          HG11      VAL  21  -4.031   3.245   3.245
  169   3HG1  VAL  21          HG13      VAL  21  -5.108   4.632   4.632
  170   1HG2  VAL  21          HG21      VAL  21  -5.712   1.575   1.575
  171   2HG2  VAL  21          HG23      VAL  21  -7.389   1.991   1.991
  172   3HG2  VAL  21          HG22      VAL  21  -6.293   3.193   3.193
  173    H    GLU  22           HN       GLU  22  -5.184  -0.269  -0.269
  174    HA   GLU  22           HA       GLU  22  -7.725  -1.211  -1.211
  175   1HB   GLU  22           HB2      GLU  22  -5.251  -2.977  -2.977
  176   2HB   GLU  22           HB1      GLU  22  -6.738  -3.436  -3.436
  177   1HG   GLU  22           HG2      GLU  22  -4.638  -1.466  -1.466
  178   2HG   GLU  22           HG1      GLU  22  -5.378  -2.763  -2.763
  179    H    TRP  23           HN       TRP  23  -5.632  -1.954  -1.954
  180    HA   TRP  23           HA       TRP  23  -7.054  -4.036  -4.036
  181   1HB   TRP  23           HB2      TRP  23  -4.737  -3.131  -3.131
  182   2HB   TRP  23           HB1      TRP  23  -5.472  -1.698  -1.698
  183    HD1  TRP  23           HD1      TRP  23  -4.166  -4.827  -4.827
  184    HE1  TRP  23           HE1      TRP  23  -4.791  -5.692  -5.692
  185    HE3  TRP  23           HE3      TRP  23  -7.863  -1.577  -1.577
  186    HZ2  TRP  23           HZ2      TRP  23  -6.644  -5.031  -5.031
  187    HZ3  TRP  23           HZ3      TRP  23  -9.044  -1.680  -1.680
  188    HH2  TRP  23           HH2      TRP  23  -8.442  -3.398  -3.398
  189    H    LEU  24           HN       LEU  24  -7.048  -0.567  -0.567
  190    HA   LEU  24           HA       LEU  24  -9.317  -0.546  -0.546
  191   1HB   LEU  24           HB2      LEU  24  -7.932   1.693   1.693
  192   2HB   LEU  24           HB1      LEU  24  -9.160   1.956   1.956
  193    HG   LEU  24           HG       LEU  24  -7.011   2.322   2.322
  194   1HD1  LEU  24          HD12      LEU  24  -8.658   0.057   0.057
  195   2HD1  LEU  24          HD11      LEU  24  -7.001  -0.049  -0.049
  196   3HD1  LEU  24          HD13      LEU  24  -7.977   1.368   1.368
  197   1HD2  LEU  24          HD22      LEU  24  -5.822   0.822   0.822
  198   2HD2  LEU  24          HD21      LEU  24  -5.138   0.906   0.906
  199   3HD2  LEU  24          HD23      LEU  24  -6.106  -0.488  -0.488
  200    H    ARG  25           HN       ARG  25  -8.912   0.695   0.695
  201    HA   ARG  25           HA       ARG  25 -11.570   1.462   1.462
  202   1HB   ARG  25           HB2      ARG  25  -9.824   1.996   1.996
  203   2HB   ARG  25           HB1      ARG  25  -9.377   0.305   0.305
  204   1HG   ARG  25           HG2      ARG  25 -11.201  -0.166  -0.166
  205   2HG   ARG  25           HG1      ARG  25 -12.145   1.193   1.193
  206   1HD   ARG  25           HD2      ARG  25 -11.354   1.664   1.664
  207   2HD   ARG  25           HD1      ARG  25 -10.593   2.765   2.765
  208    HE   ARG  25           HE       ARG  25  -8.825   0.572   0.572
  209   1HH1  ARG  25          HH21      ARG  25  -8.276   3.529   3.529
  210   2HH1  ARG  25          HH22      ARG  25  -7.842   3.422   3.422
  211   1HH2  ARG  25          HH11      ARG  25  -9.131   0.210   0.210
  212   2HH2  ARG  25          HH12      ARG  25  -8.330   1.529   1.529
  213    H    LYS  26           HN       LYS  26 -10.231  -1.867  -1.867
  214    HA   LYS  26           HA       LYS  26 -12.787  -2.943  -2.943
  215   1HB   LYS  26           HB2      LYS  26 -10.441  -3.947  -3.947
  216   2HB   LYS  26           HB1      LYS  26 -10.522  -4.584  -4.584
  217   1HG   LYS  26           HG2      LYS  26 -12.908  -5.437  -5.437
  218   2HG   LYS  26           HG1      LYS  26 -12.183  -5.290  -5.290
  219   1HD   LYS  26           HD2      LYS  26 -11.441  -7.408  -7.408
  220   2HD   LYS  26           HD1      LYS  26 -10.174  -6.571  -6.571
  221   1HE   LYS  26           HE2      LYS  26 -10.896  -7.987  -7.987
  222   2HE   LYS  26           HE1      LYS  26 -12.023  -6.660  -6.660
  223   1HZ   LYS  26           HZ3      LYS  26 -12.610  -8.989  -8.989
  224   2HZ   LYS  26           HZ2      LYS  26 -13.087  -8.882  -8.882
  225   3HZ   LYS  26           HZ1      LYS  26 -13.689  -7.774  -7.774
  226    H    LYS  27           HN       LYS  27 -10.997  -2.730  -2.730
  227    HA   LYS  27           HA       LYS  27 -12.611  -4.366  -4.366
  228   1HB   LYS  27           HB2      LYS  27 -10.578  -2.380  -2.380
  229   2HB   LYS  27           HB1      LYS  27 -11.893  -2.066  -2.066
  230   1HG   LYS  27           HG2      LYS  27 -10.510  -3.610  -3.610
  231   2HG   LYS  27           HG1      LYS  27 -11.828  -4.585  -4.585
  232   1HD   LYS  27           HD2      LYS  27 -10.071  -4.681  -4.681
  233   2HD   LYS  27           HD1      LYS  27  -8.962  -4.596  -4.596
  234   1HE   LYS  27           HE2      LYS  27  -9.279  -6.884  -6.884
  235   2HE   LYS  27           HE1      LYS  27 -10.579  -6.451  -6.451
  236   1HZ   LYS  27           HZ2      LYS  27 -10.902  -6.702  -6.702
  237   2HZ   LYS  27           HZ1      LYS  27 -11.297  -7.919  -7.919
  238   3HZ   LYS  27           HZ3      LYS  27 -12.137  -6.446  -6.446
  239    H    LEU  28           HN       LEU  28 -13.040  -0.798  -0.798
  240    HA   LEU  28           HA       LEU  28 -15.569  -0.800  -0.800
  241   1HB   LEU  28           HB2      LEU  28 -15.615   1.470   1.470
  242   2HB   LEU  28           HB1      LEU  28 -13.913   1.206   1.206
  243    HG   LEU  28           HG       LEU  28 -14.721   2.758   2.758
  244   1HD1  LEU  28          HD13      LEU  28 -13.497   0.392   0.392
  245   2HD1  LEU  28          HD12      LEU  28 -14.730   0.692   0.692
  246   3HD1  LEU  28          HD11      LEU  28 -13.514   1.918   1.918
  247   1HD2  LEU  28          HD22      LEU  28 -17.158   1.548   1.548
  248   2HD2  LEU  28          HD21      LEU  28 -16.730   2.746   2.746
  249   3HD2  LEU  28          HD23      LEU  28 -16.631   1.028   1.028
  250    H    GLN  29           HN       GLN  29 -14.660  -1.366  -1.366
  251    HA   GLN  29           HA       GLN  29 -17.183  -1.226  -1.226
  252   1HB   GLN  29           HB2      GLN  29 -14.588  -2.422  -2.422
  253   2HB   GLN  29           HB1      GLN  29 -15.911  -3.403  -3.403
  254   1HG   GLN  29           HG2      GLN  29 -16.065  -0.474  -0.474
  255   2HG   GLN  29           HG1      GLN  29 -14.842  -1.358  -1.358
  256   1HE2  GLN  29          HE21      GLN  29 -18.274  -2.231  -2.231
  257   2HE2  GLN  29          HE22      GLN  29 -18.719  -2.620  -2.620
  258    H    ASP  30           HN       ASP  30 -15.665  -3.860  -3.860
  259    HA   ASP  30           HA       ASP  30 -17.613  -5.877  -5.877
  260   1HB   ASP  30           HB2      ASP  30 -16.003  -5.660  -5.660
  261   2HB   ASP  30           HB1      ASP  30 -16.617  -7.120  -7.120
  262    H    VAL  31           HN       VAL  31 -17.588  -3.250  -3.250
  263    HA   VAL  31           HA       VAL  31 -19.587  -4.081  -4.081
  264    HB   VAL  31           HB       VAL  31 -19.092  -1.247  -1.247
  265   1HG1  VAL  31          HG12      VAL  31 -20.343  -2.339  -2.339
  266   2HG1  VAL  31          HG11      VAL  31 -19.936  -0.643  -0.643
  267   3HG1  VAL  31          HG13      VAL  31 -21.163  -1.423  -1.423
  268   1HG2  VAL  31          HG22      VAL  31 -17.812  -2.834  -2.834
  269   2HG2  VAL  31          HG21      VAL  31 -17.003  -2.227  -2.227
  270   3HG2  VAL  31          HG23      VAL  31 -17.613  -1.098  -1.098
  271    H    HIS  32           HN       HIS  32 -19.864  -2.776  -2.776
  272    HA   HIS  32           HA       HIS  32 -22.813  -3.253  -3.253
  273   1HB   HIS  32           HB2      HIS  32 -23.013  -1.339  -1.339
  274   2HB   HIS  32           HB1      HIS  32 -22.550  -0.853  -0.853
  275    HD1  HIS  32           HD1      HIS  32 -21.281  -1.024  -1.024
  276    HD2  HIS  32           HD2      HIS  32 -19.814   0.017   0.017
  277    HE1  HIS  32           HE1      HIS  32 -19.092   0.187   0.187
  278    H    ASN  33           HN       ASN  33 -20.845  -5.185  -5.185
  279    HA   ASN  33           HA       ASN  33 -21.673  -5.673  -5.673
  280   1HB   ASN  33           HB2      ASN  33 -19.415  -4.407  -4.407
  281   2HB   ASN  33           HB1      ASN  33 -18.737  -5.898  -5.898
  282   1HD2  ASN  33          HD21      ASN  33 -19.017  -7.906  -7.906
  283   2HD2  ASN  33          HD22      ASN  33 -19.114  -7.683  -7.683
  284    H    PHE  34           HN       PHE  34 -19.471  -6.966  -6.966
  285    HA   PHE  34           HA       PHE  34 -20.438  -9.713  -9.713
  286   1HB   PHE  34           HB2      PHE  34 -18.088  -8.739  -8.739
  287   2HB   PHE  34           HB1      PHE  34 -18.521 -10.435 -10.435
  288    HD1  PHE  34           HD2      PHE  34 -18.419 -11.485 -11.485
  289    HD2  PHE  34           HD1      PHE  34 -16.993  -7.510  -7.510
  290    HE1  PHE  34           HE2      PHE  34 -17.167 -11.530 -11.530
  291    HE2  PHE  34           HE1      PHE  34 -15.738  -7.552  -7.552
  292    HZ   PHE  34           HZ       PHE  34 -15.823  -9.564  -9.564

  Start of MODEL    7
    1   1H    SER   1           HT1      SER   1   6.852  13.027  13.027
    2   2H    SER   1           HT3      SER   1   7.315  13.979  13.979
    3   3H    SER   1           HT2      SER   1   8.361  12.777  12.777
    4    HA   SER   1           HA       SER   1   7.301  12.026  12.026
    5   1HB   SER   1           HB2      SER   1   4.771  12.606  12.606
    6   2HB   SER   1           HB1      SER   1   4.798  11.615  11.615
    7    HG   SER   1           HG       SER   1   4.383  13.702  13.702
    8    H    VAL   2           HN       VAL   2   7.481   9.846   9.846
    9    HA   VAL   2           HA       VAL   2   7.731   7.630   7.630
   10    HB   VAL   2           HB       VAL   2   6.045   6.461   6.461
   11   1HG1  VAL   2          HG12      VAL   2   5.293   7.885   7.885
   12   2HG1  VAL   2          HG11      VAL   2   4.613   9.005   9.005
   13   3HG1  VAL   2          HG13      VAL   2   4.011   7.351   7.351
   14   1HG2  VAL   2          HG22      VAL   2   6.271   8.005   8.005
   15   2HG2  VAL   2          HG21      VAL   2   4.806   7.081   7.081
   16   3HG2  VAL   2          HG23      VAL   2   4.863   8.796   8.796
   17    H    SER   3           HN       SER   3   9.018   6.295   6.295
   18    HA   SER   3           HA       SER   3   9.987   7.374   7.374
   19   1HB   SER   3           HB2      SER   3  12.228   6.278   6.278
   20   2HB   SER   3           HB1      SER   3  11.816   7.763   7.763
   21    HG   SER   3           HG       SER   3  12.304   5.351   5.351
   22    H    GLU   4           HN       GLU   4  10.011   4.436   4.436
   23    HA   GLU   4           HA       GLU   4  10.185   2.658   2.658
   24   1HB   GLU   4           HB2      GLU   4   9.572   2.304   2.304
   25   2HB   GLU   4           HB1      GLU   4   9.250   0.976   0.976
   26   1HG   GLU   4           HG2      GLU   4  11.481   0.634   0.634
   27   2HG   GLU   4           HG1      GLU   4  11.646   1.249   1.249
   28    H    ILE   5           HN       ILE   5   7.521   4.245   4.245
   29    HA   ILE   5           HA       ILE   5   5.424   2.596   2.596
   30    HB   ILE   5           HB       ILE   5   5.292   5.197   5.197
   31   1HG1  ILE   5          HG12      ILE   5   4.035   2.947   2.947
   32   2HG1  ILE   5          HG11      ILE   5   5.663   2.473   2.473
   33   1HG2  ILE   5          HG22      ILE   5   3.107   3.391   3.391
   34   2HG2  ILE   5          HG21      ILE   5   2.837   4.557   4.557
   35   3HG2  ILE   5          HG23      ILE   5   3.325   5.115   5.115
   36   1HD1  ILE   5          HD11      ILE   5   4.964   4.960   4.960
   37   2HD1  ILE   5          HD13      ILE   5   5.649   3.480   3.480
   38   3HD1  ILE   5          HD12      ILE   5   6.589   4.454   4.454
   39    H    GLN   6           HN       GLN   6   6.829   5.877   5.877
   40    HA   GLN   6           HA       GLN   6   5.159   6.717   6.717
   41   1HB   GLN   6           HB2      GLN   6   6.564   8.297   8.297
   42   2HB   GLN   6           HB1      GLN   6   8.019   7.517   7.517
   43   1HG   GLN   6           HG2      GLN   6   6.073   8.451   8.451
   44   2HG   GLN   6           HG1      GLN   6   6.917   9.710   9.710
   45   1HE2  GLN   6          HE21      GLN   6   9.467   9.197   9.197
   46   2HE2  GLN   6          HE22      GLN   6  10.181   8.651   8.651
   47    H    LEU   7           HN       LEU   7   8.386   5.119   5.119
   48    HA   LEU   7           HA       LEU   7   8.726   4.921   4.921
   49   1HB   LEU   7           HB2      LEU   7  10.556   4.589   4.589
   50   2HB   LEU   7           HB1      LEU   7   9.801   3.083   3.083
   51    HG   LEU   7           HG       LEU   7  10.264   3.309   3.309
   52   1HD1  LEU   7          HD13      LEU   7  12.579   3.048   3.048
   53   2HD1  LEU   7          HD12      LEU   7  12.673   2.806   2.806
   54   3HD1  LEU   7          HD11      LEU   7  12.300   4.402   4.402
   55   1HD2  LEU   7          HD22      LEU   7  10.677   1.224   1.224
   56   2HD2  LEU   7          HD21      LEU   7   9.478   1.219   1.219
   57   3HD2  LEU   7          HD23      LEU   7  11.181   0.965   0.965
   58    H    MET   8           HN       MET   8   7.403   2.556   2.556
   59    HA   MET   8           HA       MET   8   6.808   0.454   0.454
   60   1HB   MET   8           HB2      MET   8   5.728   1.255   1.255
   61   2HB   MET   8           HB1      MET   8   4.911  -0.018  -0.018
   62   1HG   MET   8           HG2      MET   8   7.898  -0.055  -0.055
   63   2HG   MET   8           HG1      MET   8   6.752  -0.778  -0.778
   64   1HE   MET   8           HE3      MET   8   8.365  -0.790  -0.790
   65   2HE   MET   8           HE2      MET   8   9.213  -1.759  -1.759
   66   3HE   MET   8           HE1      MET   8   8.516  -2.539  -2.539
   67    H    HIS   9           HN       HIS   9   4.668   3.123   3.123
   68    HA   HIS   9           HA       HIS   9   2.452   2.395   2.395
   69   1HB   HIS   9           HB2      HIS   9   2.372   3.902   3.902
   70   2HB   HIS   9           HB1      HIS   9   3.013   5.182   5.182
   71    HD1  HIS   9           HD1      HIS   9   0.031   2.818   2.818
   72    HD2  HIS   9           HD2      HIS   9   1.103   6.429   6.429
   73    HE1  HIS   9           HE1      HIS   9  -2.061   3.719   3.719
   74    H    ASN  10           HN       ASN  10   5.216   4.622   4.622
   75    HA   ASN  10           HA       ASN  10   4.421   5.858   5.858
   76   1HB   ASN  10           HB2      ASN  10   6.232   6.792   6.792
   77   2HB   ASN  10           HB1      ASN  10   7.187   5.326   5.326
   78   1HD2  ASN  10          HD21      ASN  10   8.573   5.252   5.252
   79   2HD2  ASN  10          HD22      ASN  10   8.534   6.372   6.372
   80    H    LEU  11           HN       LEU  11   6.370   2.879   2.879
   81    HA   LEU  11           HA       LEU  11   6.874   2.339   2.339
   82   1HB   LEU  11           HB2      LEU  11   8.107   1.288   1.288
   83   2HB   LEU  11           HB1      LEU  11   6.705   0.240   0.240
   84    HG   LEU  11           HG       LEU  11   6.962  -0.564  -0.564
   85   1HD1  LEU  11          HD13      LEU  11   9.331   1.325   1.325
   86   2HD1  LEU  11          HD12      LEU  11   9.218  -0.018  -0.018
   87   3HD1  LEU  11          HD11      LEU  11   8.006   1.261   1.261
   88   1HD2  LEU  11          HD23      LEU  11   8.077  -1.747  -1.747
   89   2HD2  LEU  11          HD22      LEU  11   8.977  -1.901  -1.901
   90   3HD2  LEU  11          HD21      LEU  11   9.522  -0.773  -0.773
   91    H    GLY  12           HN       GLY  12   4.262   1.253   1.253
   92   1HA   GLY  12           HA2      GLY  12   2.853  -0.434  -0.434
   93   2HA   GLY  12           HA1      GLY  12   2.115   0.405   0.405
   94    H    LYS  13           HN       LYS  13   2.637   3.071   3.071
   95    HA   LYS  13           HA       LYS  13   0.605   3.773   3.773
   96   1HB   LYS  13           HB2      LYS  13   1.230   5.315   5.315
   97   2HB   LYS  13           HB1      LYS  13   2.895   5.359   5.359
   98   1HG   LYS  13           HG2      LYS  13   1.294   6.120   6.120
   99   2HG   LYS  13           HG1      LYS  13   0.653   6.985   6.985
  100   1HD   LYS  13           HD2      LYS  13   2.331   8.451   8.451
  101   2HD   LYS  13           HD1      LYS  13   3.224   7.438   7.438
  102   1HE   LYS  13           HE2      LYS  13   3.235   6.290   6.290
  103   2HE   LYS  13           HE1      LYS  13   3.881   7.928   7.928
  104   1HZ   LYS  13           HZ2      LYS  13   5.364   7.283   7.283
  105   2HZ   LYS  13           HZ1      LYS  13   4.779   5.688   5.688
  106   3HZ   LYS  13           HZ3      LYS  13   5.632   6.353   6.353
  107    H    HIS  14           HN       HIS  14   4.079   3.209   3.209
  108    HA   HIS  14           HA       HIS  14   4.483   4.245   4.245
  109   1HB   HIS  14           HB2      HIS  14   6.115   3.626   3.626
  110   2HB   HIS  14           HB1      HIS  14   6.261   2.140   2.140
  111    HD1  HIS  14           HD1      HIS  14   5.910   5.468   5.468
  112    HD2  HIS  14           HD2      HIS  14   8.881   2.706   2.706
  113    HE1  HIS  14           HE1      HIS  14   7.966   6.133   6.133
  114    H    LEU  15           HN       LEU  15   5.963   1.736   1.736
  115    HA   LEU  15           HA       LEU  15   5.542  -0.134  -0.134
  116   1HB   LEU  15           HB2      LEU  15   3.081  -0.852  -0.852
  117   2HB   LEU  15           HB1      LEU  15   4.370  -1.892  -1.892
  118    HG   LEU  15           HG       LEU  15   5.134   0.088   0.088
  119   1HD1  LEU  15          HD13      LEU  15   3.388  -2.317  -2.317
  120   2HD1  LEU  15          HD12      LEU  15   4.229  -1.354  -1.354
  121   3HD1  LEU  15          HD11      LEU  15   2.949  -0.626  -0.626
  122   1HD2  LEU  15          HD21      LEU  15   6.717  -1.570  -1.570
  123   2HD2  LEU  15          HD23      LEU  15   6.442  -1.827  -1.827
  124   3HD2  LEU  15          HD22      LEU  15   5.655  -2.871  -2.871
  125    H    ASN  16           HN       ASN  16   4.692   2.081   2.081
  126    HA   ASN  16           HA       ASN  16   3.395   2.699   2.699
  127   1HB   ASN  16           HB2      ASN  16   2.865   0.180   0.180
  128   2HB   ASN  16           HB1      ASN  16   1.360   0.562   0.562
  129   1HD2  ASN  16          HD21      ASN  16  -0.337   1.066   1.066
  130   2HD2  ASN  16          HD22      ASN  16  -0.152   1.718   1.718
  131    H    SER  17           HN       SER  17   1.906   2.213   2.213
  132    HA   SER  17           HA       SER  17   0.607   3.671   3.671
  133   1HB   SER  17           HB2      SER  17   1.522   5.458   5.458
  134   2HB   SER  17           HB1      SER  17  -0.188   5.463   5.463
  135    HG   SER  17           HG       SER  17   1.012   5.985   5.985
  136    H    MET  18           HN       MET  18  -0.718   3.057   3.057
  137    HA   MET  18           HA       MET  18  -3.462   3.028   3.028
  138   1HB   MET  18           HB2      MET  18  -2.137   2.037   2.037
  139   2HB   MET  18           HB1      MET  18  -3.859   1.817   1.817
  140   1HG   MET  18           HG2      MET  18  -4.303   4.104   4.104
  141   2HG   MET  18           HG1      MET  18  -2.650   4.545   4.545
  142   1HE   MET  18           HE2      MET  18  -3.906   6.172   6.172
  143   2HE   MET  18           HE1      MET  18  -2.179   6.264   6.264
  144   3HE   MET  18           HE3      MET  18  -2.749   6.158   6.158
  145    H    GLU  19           HN       GLU  19  -0.912   0.685   0.685
  146    HA   GLU  19           HA       GLU  19  -2.641  -1.686  -1.686
  147   1HB   GLU  19           HB2      GLU  19   0.104  -1.431  -1.431
  148   2HB   GLU  19           HB1      GLU  19  -0.709  -2.904  -2.904
  149   1HG   GLU  19           HG2      GLU  19   0.530  -0.754  -0.754
  150   2HG   GLU  19           HG1      GLU  19   0.948  -2.458  -2.458
  151    H    ARG  20           HN       ARG  20  -1.251   0.629   0.629
  152    HA   ARG  20           HA       ARG  20  -2.075  -0.476  -0.476
  153   1HB   ARG  20           HB2      ARG  20  -0.550   1.487   1.487
  154   2HB   ARG  20           HB1      ARG  20  -1.907   2.429   2.429
  155   1HG   ARG  20           HG2      ARG  20  -1.571   2.994   2.994
  156   2HG   ARG  20           HG1      ARG  20  -3.053   2.051   2.051
  157   1HD   ARG  20           HD2      ARG  20  -2.010   0.100   0.100
  158   2HD   ARG  20           HD1      ARG  20  -0.393   0.767   0.767
  159    HE   ARG  20           HE       ARG  20  -2.305   1.550   1.550
  160   1HH1  ARG  20          HH11      ARG  20  -0.757   3.945   3.945
  161   2HH1  ARG  20          HH12      ARG  20   0.657   3.859   3.859
  162   1HH2  ARG  20          HH21      ARG  20   0.175   0.519   0.519
  163   2HH2  ARG  20          HH22      ARG  20   1.187   1.909   1.909
  164    H    VAL  21           HN       VAL  21  -3.521   2.204   2.204
  165    HA   VAL  21           HA       VAL  21  -5.911   2.573   2.573
  166    HB   VAL  21           HB       VAL  21  -5.056   4.074   4.074
  167   1HG1  VAL  21          HG11      VAL  21  -4.070   2.270   2.270
  168   2HG1  VAL  21          HG13      VAL  21  -5.671   1.855   1.855
  169   3HG1  VAL  21          HG12      VAL  21  -4.972   3.424   3.424
  170   1HG2  VAL  21          HG21      VAL  21  -7.620   3.851   3.851
  171   2HG2  VAL  21          HG23      VAL  21  -7.062   4.578   4.578
  172   3HG2  VAL  21          HG22      VAL  21  -7.588   2.894   2.894
  173    H    GLU  22           HN       GLU  22  -5.318   0.165   0.165
  174    HA   GLU  22           HA       GLU  22  -8.048  -0.568  -0.568
  175   1HB   GLU  22           HB2      GLU  22  -5.443  -1.657  -1.657
  176   2HB   GLU  22           HB1      GLU  22  -6.690  -2.888  -2.888
  177   1HG   GLU  22           HG2      GLU  22  -7.343  -0.340  -0.340
  178   2HG   GLU  22           HG1      GLU  22  -6.494  -1.634  -1.634
  179    H    TRP  23           HN       TRP  23  -5.687  -1.663  -1.663
  180    HA   TRP  23           HA       TRP  23  -7.052  -3.899  -3.899
  181   1HB   TRP  23           HB2      TRP  23  -4.753  -3.052  -3.052
  182   2HB   TRP  23           HB1      TRP  23  -5.510  -1.672  -1.672
  183    HD1  TRP  23           HD1      TRP  23  -4.370  -4.958  -4.958
  184    HE1  TRP  23           HE1      TRP  23  -5.083  -5.949  -5.949
  185    HE3  TRP  23           HE3      TRP  23  -7.777  -1.514  -1.514
  186    HZ2  TRP  23           HZ2      TRP  23  -6.906  -5.278  -5.278
  187    HZ3  TRP  23           HZ3      TRP  23  -8.992  -1.653  -1.653
  188    HH2  TRP  23           HH2      TRP  23  -8.562  -3.526  -3.526
  189    H    LEU  24           HN       LEU  24  -7.105  -0.503  -0.503
  190    HA   LEU  24           HA       LEU  24  -9.273  -0.525  -0.525
  191   1HB   LEU  24           HB2      LEU  24  -7.977   1.715   1.715
  192   2HB   LEU  24           HB1      LEU  24  -9.159   1.981   1.981
  193    HG   LEU  24           HG       LEU  24  -6.988   2.351   2.351
  194   1HD1  LEU  24          HD11      LEU  24  -8.594   0.091   0.091
  195   2HD1  LEU  24          HD13      LEU  24  -6.906  -0.096  -0.096
  196   3HD1  LEU  24          HD12      LEU  24  -7.803   1.336   1.336
  197   1HD2  LEU  24          HD22      LEU  24  -5.849   0.890   0.890
  198   2HD2  LEU  24          HD21      LEU  24  -5.095   0.975   0.975
  199   3HD2  LEU  24          HD23      LEU  24  -6.058  -0.433  -0.433
  200    H    ARG  25           HN       ARG  25  -9.054   0.454   0.454
  201    HA   ARG  25           HA       ARG  25 -11.769   1.289   1.289
  202   1HB   ARG  25           HB2      ARG  25  -9.607   1.302   1.302
  203   2HB   ARG  25           HB1      ARG  25 -10.358  -0.159  -0.159
  204   1HG   ARG  25           HG2      ARG  25 -12.522   1.464   1.464
  205   2HG   ARG  25           HG1      ARG  25 -11.257   2.673   2.673
  206   1HD   ARG  25           HD2      ARG  25 -11.266   2.152   2.152
  207   2HD   ARG  25           HD1      ARG  25 -10.542   0.609   0.609
  208    HE   ARG  25           HE       ARG  25 -13.074   0.824   0.824
  209   1HH1  ARG  25          HH11      ARG  25 -11.651  -1.725  -1.725
  210   2HH1  ARG  25          HH12      ARG  25 -12.911  -2.361  -2.361
  211   1HH2  ARG  25          HH21      ARG  25 -14.754   0.599   0.599
  212   2HH2  ARG  25          HH22      ARG  25 -14.672  -1.027  -1.027
  213    H    LYS  26           HN       LYS  26 -10.328  -1.999  -1.999
  214    HA   LYS  26           HA       LYS  26 -12.878  -3.207  -3.207
  215   1HB   LYS  26           HB2      LYS  26 -10.172  -4.334  -4.334
  216   2HB   LYS  26           HB1      LYS  26 -11.564  -5.382  -5.382
  217   1HG   LYS  26           HG2      LYS  26 -11.842  -4.517  -4.517
  218   2HG   LYS  26           HG1      LYS  26 -10.556  -3.341  -3.341
  219   1HD   LYS  26           HD2      LYS  26 -10.041  -6.302  -6.302
  220   2HD   LYS  26           HD1      LYS  26  -9.962  -5.523  -5.523
  221   1HE   LYS  26           HE2      LYS  26  -8.439  -3.786  -3.786
  222   2HE   LYS  26           HE1      LYS  26  -8.164  -5.196  -5.196
  223   1HZ   LYS  26           HZ3      LYS  26  -7.558  -6.433  -6.433
  224   2HZ   LYS  26           HZ2      LYS  26  -7.697  -4.989  -4.989
  225   3HZ   LYS  26           HZ1      LYS  26  -6.518  -5.134  -5.134
  226    H    LYS  27           HN       LYS  27 -10.941  -3.102  -3.102
  227    HA   LYS  27           HA       LYS  27 -12.712  -4.713  -4.713
  228   1HB   LYS  27           HB2      LYS  27 -10.679  -2.583  -2.583
  229   2HB   LYS  27           HB1      LYS  27 -11.669  -3.321  -3.321
  230   1HG   LYS  27           HG2      LYS  27 -10.173  -5.051  -5.051
  231   2HG   LYS  27           HG1      LYS  27  -9.347  -4.386  -4.386
  232   1HD   LYS  27           HD2      LYS  27 -10.406  -5.786  -5.786
  233   2HD   LYS  27           HD1      LYS  27 -11.957  -5.608  -5.608
  234   1HE   LYS  27           HE2      LYS  27  -9.783  -7.148  -7.148
  235   2HE   LYS  27           HE1      LYS  27 -10.661  -7.920  -7.920
  236   1HZ   LYS  27           HZ3      LYS  27 -11.914  -6.680  -6.680
  237   2HZ   LYS  27           HZ2      LYS  27 -11.704  -8.346  -8.346
  238   3HZ   LYS  27           HZ1      LYS  27 -12.739  -7.458  -7.458
  239    H    LEU  28           HN       LEU  28 -12.834  -1.334  -1.334
  240    HA   LEU  28           HA       LEU  28 -14.767  -0.306  -0.306
  241   1HB   LEU  28           HB2      LEU  28 -13.372   1.048   1.048
  242   2HB   LEU  28           HB1      LEU  28 -14.349   0.426   0.426
  243    HG   LEU  28           HG       LEU  28 -16.352   1.343   1.343
  244   1HD1  LEU  28          HD12      LEU  28 -13.973   2.998   2.998
  245   2HD1  LEU  28          HD11      LEU  28 -15.660   3.433   3.433
  246   3HD1  LEU  28          HD13      LEU  28 -14.991   1.983   1.983
  247   1HD2  LEU  28          HD22      LEU  28 -14.450   3.022   3.022
  248   2HD2  LEU  28          HD21      LEU  28 -15.877   2.156   2.156
  249   3HD2  LEU  28          HD23      LEU  28 -16.058   3.562   3.562
  250    H    GLN  29           HN       GLN  29 -15.064  -2.226  -2.226
  251    HA   GLN  29           HA       GLN  29 -17.882  -2.007  -2.007
  252   1HB   GLN  29           HB2      GLN  29 -16.133  -4.371  -4.371
  253   2HB   GLN  29           HB1      GLN  29 -17.675  -3.962  -3.962
  254   1HG   GLN  29           HG2      GLN  29 -16.724  -1.943  -1.943
  255   2HG   GLN  29           HG1      GLN  29 -15.209  -2.197  -2.197
  256   1HE2  GLN  29          HE21      GLN  29 -14.480  -4.789  -4.789
  257   2HE2  GLN  29          HE22      GLN  29 -14.422  -5.121  -5.121
  258    H    ASP  30           HN       ASP  30 -15.993  -4.032  -4.032
  259    HA   ASP  30           HA       ASP  30 -18.462  -5.251  -5.251
  260   1HB   ASP  30           HB2      ASP  30 -17.139  -7.291  -7.291
  261   2HB   ASP  30           HB1      ASP  30 -17.110  -6.906  -6.906
  262    H    VAL  31           HN       VAL  31 -16.732  -6.428  -6.428
  263    HA   VAL  31           HA       VAL  31 -16.019  -5.911  -5.911
  264    HB   VAL  31           HB       VAL  31 -15.225  -3.179  -3.179
  265   1HG1  VAL  31          HG11      VAL  31 -14.523  -4.805  -4.805
  266   2HG1  VAL  31          HG13      VAL  31 -13.344  -3.673  -3.673
  267   3HG1  VAL  31          HG12      VAL  31 -14.915  -3.089  -3.089
  268   1HG2  VAL  31          HG22      VAL  31 -13.712  -5.813  -5.813
  269   2HG2  VAL  31          HG21      VAL  31 -14.227  -4.874  -4.874
  270   3HG2  VAL  31          HG23      VAL  31 -12.979  -4.243  -4.243
  271    H    HIS  32           HN       HIS  32 -18.738  -4.684  -4.684
  272    HA   HIS  32           HA       HIS  32 -19.945  -4.059  -4.059
  273   1HB   HIS  32           HB2      HIS  32 -20.484  -1.566  -1.566
  274   2HB   HIS  32           HB1      HIS  32 -18.945  -1.941  -1.941
  275    HD1  HIS  32           HD1      HIS  32 -20.421  -1.114  -1.114
  276    HD2  HIS  32           HD2      HIS  32 -16.704  -1.229  -1.229
  277    HE1  HIS  32           HE1      HIS  32 -18.783  -0.018  -0.018
  278    H    ASN  33           HN       ASN  33 -22.015  -4.658  -4.658
  279    HA   ASN  33           HA       ASN  33 -23.514  -3.793  -3.793
  280   1HB   ASN  33           HB2      ASN  33 -24.207  -6.145  -6.145
  281   2HB   ASN  33           HB1      ASN  33 -22.508  -5.814  -5.814
  282   1HD2  ASN  33          HD21      ASN  33 -24.723  -7.619  -7.619
  283   2HD2  ASN  33          HD22      ASN  33 -23.520  -8.562  -8.562
  284    H    PHE  34           HN       PHE  34 -25.792  -3.927  -3.927
  285    HA   PHE  34           HA       PHE  34 -26.913  -5.157  -5.157
  286   1HB   PHE  34           HB2      PHE  34 -28.007  -2.938  -2.938
  287   2HB   PHE  34           HB1      PHE  34 -26.296  -3.113  -3.113
  288    HD1  PHE  34           HD1      PHE  34 -28.781  -1.427  -1.427
  289    HD2  PHE  34           HD2      PHE  34 -24.603  -1.817  -1.817
  290    HE1  PHE  34           HE1      PHE  34 -28.297   0.628   0.628
  291    HE2  PHE  34           HE2      PHE  34 -24.122   0.237   0.237
  292    HZ   PHE  34           HZ       PHE  34 -25.969   1.460   1.460

  Start of MODEL    8
    1   1H    SER   1           HT3      SER   1  10.065  13.379  13.379
    2   2H    SER   1           HT2      SER   1  11.420  14.387  14.387
    3   3H    SER   1           HT1      SER   1  10.656  13.720  13.720
    4    HA   SER   1           HA       SER   1  11.341  11.517  11.517
    5   1HB   SER   1           HB2      SER   1  13.823  11.809  11.809
    6   2HB   SER   1           HB1      SER   1  12.965  12.795  12.795
    7    HG   SER   1           HG       SER   1  14.508  13.538  13.538
    8    H    VAL   2           HN       VAL   2  12.206  10.037  10.037
    9    HA   VAL   2           HA       VAL   2  12.879   9.168   9.168
   10    HB   VAL   2           HB       VAL   2  13.328  11.982  11.982
   11   1HG1  VAL   2          HG13      VAL   2  14.303   9.261   9.261
   12   2HG1  VAL   2          HG12      VAL   2  14.948  10.790  10.790
   13   3HG1  VAL   2          HG11      VAL   2  13.260  10.373  10.373
   14   1HG2  VAL   2          HG22      VAL   2  15.171  10.071  10.071
   15   2HG2  VAL   2          HG21      VAL   2  14.714  11.703  11.703
   16   3HG2  VAL   2          HG23      VAL   2  15.753  11.461  11.461
   17    H    SER   3           HN       SER   3  10.984  12.060  12.060
   18    HA   SER   3           HA       SER   3   9.613  11.075  11.075
   19   1HB   SER   3           HB2      SER   3   7.900  12.899  12.899
   20   2HB   SER   3           HB1      SER   3   9.560  13.427  13.427
   21    HG   SER   3           HG       SER   3   8.160  13.036  13.036
   22    H    GLU   4           HN       GLU   4   9.046  10.354  10.354
   23    HA   GLU   4           HA       GLU   4   6.265   9.566   9.566
   24   1HB   GLU   4           HB2      GLU   4   8.477   8.754   8.754
   25   2HB   GLU   4           HB1      GLU   4   6.803   8.233   8.233
   26   1HG   GLU   4           HG2      GLU   4   6.645  10.120  10.120
   27   2HG   GLU   4           HG1      GLU   4   6.412  10.904  10.904
   28    H    ILE   5           HN       ILE   5   9.379   7.896   7.896
   29    HA   ILE   5           HA       ILE   5   8.095   5.306   5.306
   30    HB   ILE   5           HB       ILE   5  10.987   6.136   6.136
   31   1HG1  ILE   5          HG12      ILE   5  10.509   6.463   6.463
   32   2HG1  ILE   5          HG11      ILE   5  11.461   4.995   4.995
   33   1HG2  ILE   5          HG21      ILE   5   9.590   3.455   3.455
   34   2HG2  ILE   5          HG23      ILE   5  11.343   3.636   3.636
   35   3HG2  ILE   5          HG22      ILE   5  10.473   4.119   4.119
   36   1HD1  ILE   5          HD12      ILE   5   9.221   3.728   3.728
   37   2HD1  ILE   5          HD11      ILE   5   8.498   5.233   5.233
   38   3HD1  ILE   5          HD13      ILE   5   9.732   4.425   4.425
   39    H    GLN   6           HN       GLN   6   9.624   8.013   8.013
   40    HA   GLN   6           HA       GLN   6   9.566   6.923   6.923
   41   1HB   GLN   6           HB2      GLN   6  10.627   9.136   9.136
   42   2HB   GLN   6           HB1      GLN   6   9.057   9.848   9.848
   43   1HG   GLN   6           HG2      GLN   6   9.263   9.345   9.345
   44   2HG   GLN   6           HG1      GLN   6  10.612   8.243   8.243
   45   1HE2  GLN   6          HE21      GLN   6  12.717   9.268   9.268
   46   2HE2  GLN   6          HE22      GLN   6  13.031  10.881  10.881
   47    H    LEU   7           HN       LEU   7   7.100   8.757   8.757
   48    HA   LEU   7           HA       LEU   7   5.106   8.861   8.861
   49   1HB   LEU   7           HB2      LEU   7   5.092  10.352  10.352
   50   2HB   LEU   7           HB1      LEU   7   4.765   8.961   8.961
   51    HG   LEU   7           HG       LEU   7   2.905   9.291   9.291
   52   1HD1  LEU   7          HD13      LEU   7   2.909  11.232  11.232
   53   2HD1  LEU   7          HD12      LEU   7   1.637  11.091  11.091
   54   3HD1  LEU   7          HD11      LEU   7   3.246  11.644  11.644
   55   1HD2  LEU   7          HD21      LEU   7   2.705   8.675   8.675
   56   2HD2  LEU   7          HD23      LEU   7   2.435   7.577   7.577
   57   3HD2  LEU   7          HD22      LEU   7   1.281   8.868   8.868
   58    H    MET   8           HN       MET   8   5.620   6.621   6.621
   59    HA   MET   8           HA       MET   8   3.370   4.915   4.915
   60   1HB   MET   8           HB2      MET   8   6.036   4.527   4.527
   61   2HB   MET   8           HB1      MET   8   4.930   3.167   3.167
   62   1HG   MET   8           HG2      MET   8   3.161   4.427   4.427
   63   2HG   MET   8           HG1      MET   8   4.241   5.808   5.808
   64   1HE   MET   8           HE3      MET   8   3.953   1.977   1.977
   65   2HE   MET   8           HE2      MET   8   2.792   2.815   2.815
   66   3HE   MET   8           HE1      MET   8   4.115   1.911   1.911
   67    H    HIS   9           HN       HIS   9   6.696   4.784   4.784
   68    HA   HIS   9           HA       HIS   9   6.202   2.343   2.343
   69   1HB   HIS   9           HB2      HIS   9   8.432   3.377   3.377
   70   2HB   HIS   9           HB1      HIS   9   8.556   4.085   4.085
   71    HD1  HIS   9           HD1      HIS   9   8.523   0.764   0.764
   72    HD2  HIS   9           HD2      HIS   9   9.052   2.223   2.223
   73    HE1  HIS   9           HE1      HIS   9   9.367  -1.178  -1.178
   74    H    ASN  10           HN       ASN  10   5.416   5.607   5.607
   75    HA   ASN  10           HA       ASN  10   6.150   6.156   6.156
   76   1HB   ASN  10           HB2      ASN  10   4.454   7.791   7.791
   77   2HB   ASN  10           HB1      ASN  10   4.876   7.655   7.655
   78   1HD2  ASN  10          HD21      ASN  10   2.273   8.515   8.515
   79   2HD2  ASN  10          HD22      ASN  10   1.085   7.548   7.548
   80    H    LEU  11           HN       LEU  11   3.403   4.053   4.053
   81    HA   LEU  11           HA       LEU  11   2.332   3.686   3.686
   82   1HB   LEU  11           HB2      LEU  11   1.197   3.066   3.066
   83   2HB   LEU  11           HB1      LEU  11   2.236   1.642   1.642
   84    HG   LEU  11           HG       LEU  11   1.362   1.054   1.054
   85   1HD1  LEU  11          HD12      LEU  11  -0.532   3.330   3.330
   86   2HD1  LEU  11          HD11      LEU  11  -0.870   2.122   2.122
   87   3HD1  LEU  11          HD13      LEU  11   0.519   3.196   3.196
   88   1HD2  LEU  11          HD21      LEU  11   0.510  -0.022  -0.022
   89   2HD2  LEU  11          HD23      LEU  11  -0.773   0.164   0.164
   90   3HD2  LEU  11          HD22      LEU  11  -0.683   1.266   1.266
   91    H    GLY  12           HN       GLY  12   4.847   1.907   1.907
   92   1HA   GLY  12           HA2      GLY  12   5.344  -0.180  -0.180
   93   2HA   GLY  12           HA1      GLY  12   6.502   0.402   0.402
   94    H    LYS  13           HN       LYS  13   6.140   3.234   3.234
   95    HA   LYS  13           HA       LYS  13   8.127   2.893   2.893
   96   1HB   LYS  13           HB2      LYS  13   8.304   4.540   4.540
   97   2HB   LYS  13           HB1      LYS  13   7.239   5.556   5.556
   98   1HG   LYS  13           HG2      LYS  13   8.827   5.532   5.532
   99   2HG   LYS  13           HG1      LYS  13   9.866   4.399   4.399
  100   1HD   LYS  13           HD2      LYS  13  10.195   6.085   6.085
  101   2HD   LYS  13           HD1      LYS  13   9.185   7.219   7.219
  102   1HE   LYS  13           HE2      LYS  13  11.281   7.880   7.880
  103   2HE   LYS  13           HE1      LYS  13  10.889   6.678   6.678
  104   1HZ   LYS  13           HZ1      LYS  13  12.474   6.159   6.159
  105   2HZ   LYS  13           HZ3      LYS  13  13.118   6.360   6.360
  106   3HZ   LYS  13           HZ2      LYS  13  12.125   5.026   5.026
  107    H    HIS  14           HN       HIS  14   4.732   3.716   3.716
  108    HA   HIS  14           HA       HIS  14   4.380   5.216   5.216
  109   1HB   HIS  14           HB2      HIS  14   2.354   3.895   3.895
  110   2HB   HIS  14           HB1      HIS  14   1.926   4.913   4.913
  111    HD1  HIS  14           HD1      HIS  14   4.271   7.059   7.059
  112    HD2  HIS  14           HD2      HIS  14   1.477   5.687   5.687
  113    HE1  HIS  14           HE1      HIS  14   4.121   8.830   8.830
  114    H    LEU  15           HN       LEU  15   2.224   2.430   2.430
  115    HA   LEU  15           HA       LEU  15   1.717   0.570   0.570
  116   1HB   LEU  15           HB2      LEU  15   4.580   0.844   0.844
  117   2HB   LEU  15           HB1      LEU  15   3.527  -0.488  -0.488
  118    HG   LEU  15           HG       LEU  15   4.676  -1.397  -1.397
  119   1HD1  LEU  15          HD13      LEU  15   2.167  -1.349  -1.349
  120   2HD1  LEU  15          HD12      LEU  15   2.492  -0.013  -0.013
  121   3HD1  LEU  15          HD11      LEU  15   3.208  -1.597  -1.597
  122   1HD2  LEU  15          HD23      LEU  15   5.892   0.716   0.716
  123   2HD2  LEU  15          HD22      LEU  15   5.410  -0.175  -0.175
  124   3HD2  LEU  15          HD21      LEU  15   4.502   1.247   1.247
  125    H    ASN  16           HN       ASN  16   3.659   2.667   2.667
  126    HA   ASN  16           HA       ASN  16   2.113   2.146   2.146
  127   1HB   ASN  16           HB2      ASN  16   3.897   4.447   4.447
  128   2HB   ASN  16           HB1      ASN  16   3.099   4.395   4.395
  129   1HD2  ASN  16          HD21      ASN  16   5.578   2.794   2.794
  130   2HD2  ASN  16          HD22      ASN  16   6.243   1.885   1.885
  131    H    SER  17           HN       SER  17   1.213   4.056   4.056
  132    HA   SER  17           HA       SER  17  -0.872   5.479   5.479
  133   1HB   SER  17           HB2      SER  17   0.342   6.142   6.142
  134   2HB   SER  17           HB1      SER  17  -1.004   7.019   7.019
  135    HG   SER  17           HG       SER  17   0.327   7.907   7.907
  136    H    MET  18           HN       MET  18  -0.418   3.509   3.509
  137    HA   MET  18           HA       MET  18  -3.409   3.368   3.368
  138   1HB   MET  18           HB2      MET  18  -1.245   3.019   3.019
  139   2HB   MET  18           HB1      MET  18  -2.923   2.564   2.564
  140   1HG   MET  18           HG2      MET  18  -3.140   4.723   4.723
  141   2HG   MET  18           HG1      MET  18  -3.252   5.075   5.075
  142   1HE   MET  18           HE3      MET  18  -2.232   6.367   6.367
  143   2HE   MET  18           HE2      MET  18  -0.567   6.941   6.941
  144   3HE   MET  18           HE1      MET  18  -0.903   5.260   5.260
  145    H    GLU  19           HN       GLU  19  -0.690   1.311   1.311
  146    HA   GLU  19           HA       GLU  19  -2.187  -1.171  -1.171
  147   1HB   GLU  19           HB2      GLU  19   0.035  -1.667  -1.667
  148   2HB   GLU  19           HB1      GLU  19   0.615  -0.512  -0.512
  149   1HG   GLU  19           HG2      GLU  19  -0.807  -2.894  -2.894
  150   2HG   GLU  19           HG1      GLU  19   0.766  -3.186  -3.186
  151    H    ARG  20           HN       ARG  20  -1.167   0.770   0.770
  152    HA   ARG  20           HA       ARG  20  -2.080  -0.838  -0.838
  153   1HB   ARG  20           HB2      ARG  20  -1.986   2.177   2.177
  154   2HB   ARG  20           HB1      ARG  20  -2.109   1.337   1.337
  155   1HG   ARG  20           HG2      ARG  20   0.065   0.099   0.099
  156   2HG   ARG  20           HG1      ARG  20   0.183   1.675   1.675
  157   1HD   ARG  20           HD2      ARG  20   0.176   2.801   2.801
  158   2HD   ARG  20           HD1      ARG  20  -0.127   1.275   1.275
  159    HE   ARG  20           HE       ARG  20   2.456   2.239   2.239
  160   1HH1  ARG  20          HH21      ARG  20   2.212   0.164   0.164
  161   2HH1  ARG  20          HH22      ARG  20   2.805  -1.259  -1.259
  162   1HH2  ARG  20          HH11      ARG  20   2.502   0.070   0.070
  163   2HH2  ARG  20          HH12      ARG  20   2.967  -1.312  -1.312
  164    H    VAL  21           HN       VAL  21  -3.546   1.984   1.984
  165    HA   VAL  21           HA       VAL  21  -6.027   2.252   2.252
  166    HB   VAL  21           HB       VAL  21  -5.193   3.793   3.793
  167   1HG1  VAL  21          HG11      VAL  21  -5.233   1.399   1.399
  168   2HG1  VAL  21          HG13      VAL  21  -5.013   3.042   3.042
  169   3HG1  VAL  21          HG12      VAL  21  -3.849   2.340   2.340
  170   1HG2  VAL  21          HG22      VAL  21  -7.744   3.385   3.385
  171   2HG2  VAL  21          HG21      VAL  21  -7.103   4.128   4.128
  172   3HG2  VAL  21          HG23      VAL  21  -7.506   2.411   2.411
  173    H    GLU  22           HN       GLU  22  -5.197  -0.215  -0.215
  174    HA   GLU  22           HA       GLU  22  -7.831  -1.108  -1.108
  175   1HB   GLU  22           HB2      GLU  22  -5.135  -2.449  -2.449
  176   2HB   GLU  22           HB1      GLU  22  -6.587  -3.381  -3.381
  177   1HG   GLU  22           HG2      GLU  22  -6.344  -0.758  -0.758
  178   2HG   GLU  22           HG1      GLU  22  -5.217  -2.012  -2.012
  179    H    TRP  23           HN       TRP  23  -5.692  -1.988  -1.988
  180    HA   TRP  23           HA       TRP  23  -7.138  -4.096  -4.096
  181   1HB   TRP  23           HB2      TRP  23  -4.837  -3.219  -3.219
  182   2HB   TRP  23           HB1      TRP  23  -5.588  -1.796  -1.796
  183    HD1  TRP  23           HD1      TRP  23  -4.411  -5.019  -5.019
  184    HE1  TRP  23           HE1      TRP  23  -5.085  -5.866  -5.866
  185    HE3  TRP  23           HE3      TRP  23  -7.891  -1.565  -1.565
  186    HZ2  TRP  23           HZ2      TRP  23  -6.901  -5.098  -5.098
  187    HZ3  TRP  23           HZ3      TRP  23  -9.081  -1.595  -1.595
  188    HH2  TRP  23           HH2      TRP  23  -8.595  -3.354  -3.354
  189    H    LEU  24           HN       LEU  24  -7.155  -0.646  -0.646
  190    HA   LEU  24           HA       LEU  24  -9.364  -0.569  -0.569
  191   1HB   LEU  24           HB2      LEU  24  -8.034   1.621   1.621
  192   2HB   LEU  24           HB1      LEU  24  -9.212   1.916   1.916
  193    HG   LEU  24           HG       LEU  24  -7.023   2.303   2.303
  194   1HD1  LEU  24          HD11      LEU  24  -8.664   0.094   0.094
  195   2HD1  LEU  24          HD13      LEU  24  -6.983  -0.066  -0.066
  196   3HD1  LEU  24          HD12      LEU  24  -7.889   1.389   1.389
  197   1HD2  LEU  24          HD22      LEU  24  -5.901   0.737   0.737
  198   2HD2  LEU  24          HD21      LEU  24  -5.155   0.887   0.887
  199   3HD2  LEU  24          HD23      LEU  24  -6.138  -0.524  -0.524
  200    H    ARG  25           HN       ARG  25  -9.048   0.401   0.401
  201    HA   ARG  25           HA       ARG  25 -11.733   1.206   1.206
  202   1HB   ARG  25           HB2      ARG  25  -9.873   1.554   1.554
  203   2HB   ARG  25           HB1      ARG  25  -9.762  -0.180  -0.180
  204   1HG   ARG  25           HG2      ARG  25 -12.430   0.334   0.334
  205   2HG   ARG  25           HG1      ARG  25 -11.631   1.787   1.787
  206   1HD   ARG  25           HD2      ARG  25 -11.714   0.140   0.140
  207   2HD   ARG  25           HD1      ARG  25 -10.040   0.343   0.343
  208    HE   ARG  25           HE       ARG  25 -10.245  -1.809  -1.809
  209   1HH1  ARG  25          HH21      ARG  25 -13.182  -2.075  -2.075
  210   2HH1  ARG  25          HH22      ARG  25 -13.565  -3.186  -3.186
  211   1HH2  ARG  25          HH11      ARG  25 -10.505  -2.769  -2.769
  212   2HH2  ARG  25          HH12      ARG  25 -12.033  -3.586  -3.586
  213    H    LYS  26           HN       LYS  26 -10.368  -2.088  -2.088
  214    HA   LYS  26           HA       LYS  26 -12.906  -3.315  -3.315
  215   1HB   LYS  26           HB2      LYS  26 -10.248  -4.426  -4.426
  216   2HB   LYS  26           HB1      LYS  26 -11.657  -5.464  -5.464
  217   1HG   LYS  26           HG2      LYS  26 -11.749  -5.064  -5.064
  218   2HG   LYS  26           HG1      LYS  26 -10.798  -3.586  -3.586
  219   1HD   LYS  26           HD2      LYS  26  -8.982  -5.332  -5.332
  220   2HD   LYS  26           HD1      LYS  26  -9.888  -6.419  -6.419
  221   1HE   LYS  26           HE2      LYS  26  -9.561  -4.878  -4.878
  222   2HE   LYS  26           HE1      LYS  26  -8.682  -3.765  -3.765
  223   1HZ   LYS  26           HZ3      LYS  26  -7.877  -6.563  -6.563
  224   2HZ   LYS  26           HZ2      LYS  26  -7.175  -5.161  -5.161
  225   3HZ   LYS  26           HZ1      LYS  26  -7.031  -5.490  -5.490
  226    H    LYS  27           HN       LYS  27 -11.105  -2.761  -2.761
  227    HA   LYS  27           HA       LYS  27 -12.712  -4.353  -4.353
  228   1HB   LYS  27           HB2      LYS  27 -10.429  -3.038  -3.038
  229   2HB   LYS  27           HB1      LYS  27 -11.517  -1.810  -1.810
  230   1HG   LYS  27           HG2      LYS  27 -10.776  -3.303  -3.303
  231   2HG   LYS  27           HG1      LYS  27 -12.504  -3.472  -3.472
  232   1HD   LYS  27           HD2      LYS  27 -11.406  -5.676  -5.676
  233   2HD   LYS  27           HD1      LYS  27 -12.131  -5.533  -5.533
  234   1HE   LYS  27           HE2      LYS  27  -9.293  -4.666  -4.666
  235   2HE   LYS  27           HE1      LYS  27  -9.582  -6.389  -6.389
  236   1HZ   LYS  27           HZ1      LYS  27 -11.084  -5.904  -5.904
  237   2HZ   LYS  27           HZ3      LYS  27  -9.883  -4.723  -4.723
  238   3HZ   LYS  27           HZ2      LYS  27  -9.451  -6.357  -6.357
  239    H    LEU  28           HN       LEU  28 -13.184  -0.969  -0.969
  240    HA   LEU  28           HA       LEU  28 -15.335  -0.396  -0.396
  241   1HB   LEU  28           HB2      LEU  28 -15.903   1.492   1.492
  242   2HB   LEU  28           HB1      LEU  28 -14.173   1.428   1.428
  243    HG   LEU  28           HG       LEU  28 -14.330  -0.083  -0.083
  244   1HD1  LEU  28          HD11      LEU  28 -16.474   2.055   2.055
  245   2HD1  LEU  28          HD13      LEU  28 -15.836   1.126   1.126
  246   3HD1  LEU  28          HD12      LEU  28 -16.736   0.314   0.314
  247   1HD2  LEU  28          HD21      LEU  28 -14.123   2.938   2.938
  248   2HD2  LEU  28          HD23      LEU  28 -12.797   1.794   1.794
  249   3HD2  LEU  28          HD22      LEU  28 -13.580   1.971   1.971
  250    H    GLN  29           HN       GLN  29 -15.206  -2.128  -2.128
  251    HA   GLN  29           HA       GLN  29 -17.985  -2.138  -2.138
  252   1HB   GLN  29           HB2      GLN  29 -15.987  -4.351  -4.351
  253   2HB   GLN  29           HB1      GLN  29 -17.510  -4.124  -4.124
  254   1HG   GLN  29           HG2      GLN  29 -16.670  -1.932  -1.932
  255   2HG   GLN  29           HG1      GLN  29 -15.128  -2.245  -2.245
  256   1HE2  GLN  29          HE21      GLN  29 -14.396  -4.775  -4.775
  257   2HE2  GLN  29          HE22      GLN  29 -14.427  -5.062  -5.062
  258    H    ASP  30           HN       ASP  30 -16.162  -3.981  -3.981
  259    HA   ASP  30           HA       ASP  30 -18.578  -5.484  -5.484
  260   1HB   ASP  30           HB2      ASP  30 -16.987  -7.162  -7.162
  261   2HB   ASP  30           HB1      ASP  30 -16.771  -6.965  -6.965
  262    H    VAL  31           HN       VAL  31 -17.900  -6.206  -6.206
  263    HA   VAL  31           HA       VAL  31 -18.185  -5.465  -5.465
  264    HB   VAL  31           HB       VAL  31 -15.707  -5.669  -5.669
  265   1HG1  VAL  31          HG12      VAL  31 -15.944  -2.667  -2.667
  266   2HG1  VAL  31          HG11      VAL  31 -14.445  -3.446  -3.446
  267   3HG1  VAL  31          HG13      VAL  31 -15.129  -3.784  -3.784
  268   1HG2  VAL  31          HG23      VAL  31 -16.892  -5.295  -5.295
  269   2HG2  VAL  31          HG22      VAL  31 -15.145  -5.070  -5.070
  270   3HG2  VAL  31          HG21      VAL  31 -16.215  -3.668  -3.668
  271    H    HIS  32           HN       HIS  32 -19.654  -3.748  -3.748
  272    HA   HIS  32           HA       HIS  32 -19.612  -1.146  -1.146
  273   1HB   HIS  32           HB2      HIS  32 -20.092  -1.838  -1.838
  274   2HB   HIS  32           HB1      HIS  32 -21.021  -0.506  -0.506
  275    HD1  HIS  32           HD1      HIS  32 -19.769   1.386   1.386
  276    HD2  HIS  32           HD2      HIS  32 -17.227  -1.113  -1.113
  277    HE1  HIS  32           HE1      HIS  32 -17.511   2.531   2.531
  278    H    ASN  33           HN       ASN  33 -21.183  -1.194  -1.194
  279    HA   ASN  33           HA       ASN  33 -23.314  -1.272  -1.272
  280   1HB   ASN  33           HB2      ASN  33 -24.113  -0.671  -0.671
  281   2HB   ASN  33           HB1      ASN  33 -24.508  -2.383  -2.383
  282   1HD2  ASN  33          HD21      ASN  33 -25.429   0.644   0.644
  283   2HD2  ASN  33          HD22      ASN  33 -26.835   0.035   0.035
  284    H    PHE  34           HN       PHE  34 -23.120  -4.068  -4.068
  285    HA   PHE  34           HA       PHE  34 -23.543  -5.881  -5.881
  286   1HB   PHE  34           HB2      PHE  34 -25.073  -5.748  -5.748
  287   2HB   PHE  34           HB1      PHE  34 -23.877  -6.931  -6.931
  288    HD1  PHE  34           HD1      PHE  34 -23.571  -9.056  -9.056
  289    HD2  PHE  34           HD2      PHE  34 -26.673  -6.256  -6.256
  290    HE1  PHE  34           HE1      PHE  34 -24.716 -10.801 -10.801
  291    HE2  PHE  34           HE2      PHE  34 -27.816  -8.003  -8.003
  292    HZ   PHE  34           HZ       PHE  34 -26.838 -10.275 -10.275

  Start of MODEL    9
    1   1H    SER   1           HT2      SER   1   5.390  21.880  21.880
    2   2H    SER   1           HT1      SER   1   3.750  22.330  22.330
    3   3H    SER   1           HT3      SER   1   4.942  23.439  23.439
    4    HA   SER   1           HA       SER   1   5.513  22.063  22.063
    5   1HB   SER   1           HB2      SER   1   3.312  22.306  22.306
    6   2HB   SER   1           HB1      SER   1   3.862  23.769  23.769
    7    HG   SER   1           HG       SER   1   1.547  22.764  22.764
    8    H    VAL   2           HN       VAL   2   5.351  20.078  20.078
    9    HA   VAL   2           HA       VAL   2   4.151  17.854  17.854
   10    HB   VAL   2           HB       VAL   2   5.290  16.360  16.360
   11   1HG1  VAL   2          HG12      VAL   2   6.459  17.251  17.251
   12   2HG1  VAL   2          HG11      VAL   2   7.158  18.514  18.514
   13   3HG1  VAL   2          HG13      VAL   2   7.552  16.822  16.822
   14   1HG2  VAL   2          HG21      VAL   2   5.138  17.950  17.950
   15   2HG2  VAL   2          HG23      VAL   2   6.729  17.226  17.226
   16   3HG2  VAL   2          HG22      VAL   2   6.438  18.888  18.888
   17    H    SER   3           HN       SER   3   2.581  16.418  16.418
   18    HA   SER   3           HA       SER   3   1.292  17.076  17.076
   19   1HB   SER   3           HB2      SER   3  -0.994  16.892  16.892
   20   2HB   SER   3           HB1      SER   3  -0.105  18.392  18.392
   21    HG   SER   3           HG       SER   3   0.159  17.890  17.890
   22    H    GLU   4           HN       GLU   4   0.391  15.032  15.032
   23    HA   GLU   4           HA       GLU   4  -0.153  12.730  12.730
   24   1HB   GLU   4           HB2      GLU   4  -1.026  13.162  13.162
   25   2HB   GLU   4           HB1      GLU   4   0.552  12.632  12.632
   26   1HG   GLU   4           HG2      GLU   4  -1.070  10.761  10.761
   27   2HG   GLU   4           HG1      GLU   4   0.247  10.456  10.456
   28    H    ILE   5           HN       ILE   5   2.790  14.010  14.010
   29    HA   ILE   5           HA       ILE   5   4.394  11.577  11.577
   30    HB   ILE   5           HB       ILE   5   5.341  14.476  14.476
   31   1HG1  ILE   5          HG12      ILE   5   5.757  13.190  13.190
   32   2HG1  ILE   5          HG11      ILE   5   4.082  12.874  12.874
   33   1HG2  ILE   5          HG22      ILE   5   6.725  11.838  11.838
   34   2HG2  ILE   5          HG21      ILE   5   7.418  13.416  13.416
   35   3HG2  ILE   5          HG23      ILE   5   7.095  12.970  12.970
   36   1HD1  ILE   5          HD13      ILE   5   3.950  15.395  15.395
   37   2HD1  ILE   5          HD12      ILE   5   5.451  15.540  15.540
   38   3HD1  ILE   5          HD11      ILE   5   3.993  14.942  14.942
   39    H    GLN   6           HN       GLN   6   3.704  14.440  14.440
   40    HA   GLN   6           HA       GLN   6   5.477  13.905  13.905
   41   1HB   GLN   6           HB2      GLN   6   3.960  15.988  15.988
   42   2HB   GLN   6           HB1      GLN   6   2.738  15.114  15.114
   43   1HG   GLN   6           HG2      GLN   6   3.775  16.356  16.356
   44   2HG   GLN   6           HG1      GLN   6   4.682  14.847  14.847
   45   1HE2  GLN   6          HE21      GLN   6   4.846  18.208  18.208
   46   2HE2  GLN   6          HE22      GLN   6   6.532  18.222  18.222
   47    H    LEU   7           HN       LEU   7   2.110  12.820  12.820
   48    HA   LEU   7           HA       LEU   7   1.716  11.300  11.300
   49   1HB   LEU   7           HB2      LEU   7   0.488  11.249  11.249
   50   2HB   LEU   7           HB1      LEU   7   0.114   9.965   9.965
   51    HG   LEU   7           HG       LEU   7  -0.410  11.928  11.928
   52   1HD1  LEU   7          HD12      LEU   7  -0.502  13.249  13.249
   53   2HD1  LEU   7          HD11      LEU   7  -1.333  13.897  13.897
   54   3HD1  LEU   7          HD13      LEU   7   0.425  13.767  13.767
   55   1HD2  LEU   7          HD22      LEU   7  -2.013  10.292  10.292
   56   2HD2  LEU   7          HD21      LEU   7  -2.719  11.888  11.888
   57   3HD2  LEU   7          HD23      LEU   7  -2.207  11.395  11.395
   58    H    MET   8           HN       MET   8   2.697  10.383  10.383
   59    HA   MET   8           HA       MET   8   3.172   7.622   7.622
   60   1HB   MET   8           HB2      MET   8   3.935   9.683   9.683
   61   2HB   MET   8           HB1      MET   8   5.315   8.627   8.627
   62   1HG   MET   8           HG2      MET   8   4.352   7.255   7.255
   63   2HG   MET   8           HG1      MET   8   3.241   6.821   6.821
   64   1HE   MET   8           HE3      MET   8   1.042   7.146   7.146
   65   2HE   MET   8           HE2      MET   8   1.048   8.880   8.880
   66   3HE   MET   8           HE1      MET   8  -0.026   8.220   8.220
   67    H    HIS   9           HN       HIS   9   5.535  10.267  10.267
   68    HA   HIS   9           HA       HIS   9   7.614   8.518   8.518
   69   1HB   HIS   9           HB2      HIS   9   7.843  10.959  10.959
   70   2HB   HIS   9           HB1      HIS   9   7.261  11.429  11.429
   71    HD1  HIS   9           HD1      HIS   9  10.072   9.414   9.414
   72    HD2  HIS   9           HD2      HIS   9   9.214  11.371  11.371
   73    HE1  HIS   9           HE1      HIS   9  12.194   9.346   9.346
   74    H    ASN  10           HN       ASN  10   4.896  10.266  10.266
   75    HA   ASN  10           HA       ASN  10   5.532   9.864   9.864
   76   1HB   ASN  10           HB2      ASN  10   3.683  11.318  11.318
   77   2HB   ASN  10           HB1      ASN  10   2.685   9.938   9.938
   78   1HD2  ASN  10          HD21      ASN  10   2.538  12.729  12.729
   79   2HD2  ASN  10          HD22      ASN  10   2.735  12.577  12.577
   80    H    LEU  11           HN       LEU  11   4.447   7.537   7.537
   81    HA   LEU  11           HA       LEU  11   2.755   5.799   5.799
   82   1HB   LEU  11           HB2      LEU  11   3.665   5.608   5.608
   83   2HB   LEU  11           HB1      LEU  11   5.050   4.779   4.779
   84    HG   LEU  11           HG       LEU  11   3.346   3.227   3.227
   85   1HD1  LEU  11          HD12      LEU  11   1.566   4.612   4.612
   86   2HD1  LEU  11          HD11      LEU  11   1.164   3.071   3.071
   87   3HD1  LEU  11          HD13      LEU  11   1.324   4.524   4.524
   88   1HD2  LEU  11          HD23      LEU  11   4.726   2.556   2.556
   89   2HD2  LEU  11          HD22      LEU  11   3.113   1.849   1.849
   90   3HD2  LEU  11          HD21      LEU  11   3.528   3.247   3.247
   91    H    GLY  12           HN       GLY  12   6.356   5.785   5.785
   92   1HA   GLY  12           HA2      GLY  12   6.665   3.566   3.566
   93   2HA   GLY  12           HA1      GLY  12   7.760   4.946   4.946
   94    H    LYS  13           HN       LYS  13   6.025   6.998   6.998
   95    HA   LYS  13           HA       LYS  13   5.913   6.598   6.598
   96   1HB   LYS  13           HB2      LYS  13   5.120   8.815   8.815
   97   2HB   LYS  13           HB1      LYS  13   4.608   8.873   8.873
   98   1HG   LYS  13           HG2      LYS  13   6.635  10.014  10.014
   99   2HG   LYS  13           HG1      LYS  13   7.151   8.372   8.372
  100   1HD   LYS  13           HD2      LYS  13   8.705   9.150   9.150
  101   2HD   LYS  13           HD1      LYS  13   7.606   8.105   8.105
  102   1HE   LYS  13           HE2      LYS  13   6.270  10.276  10.276
  103   2HE   LYS  13           HE1      LYS  13   7.729  11.122  11.122
  104   1HZ   LYS  13           HZ2      LYS  13   7.592   9.074   9.074
  105   2HZ   LYS  13           HZ1      LYS  13   7.707  10.752  10.752
  106   3HZ   LYS  13           HZ3      LYS  13   8.989   9.912   9.912
  107    H    HIS  14           HN       HIS  14   3.539   6.568   6.568
  108    HA   HIS  14           HA       HIS  14   1.109   6.486   6.486
  109   1HB   HIS  14           HB2      HIS  14   1.848   5.273   5.273
  110   2HB   HIS  14           HB1      HIS  14   0.217   5.241   5.241
  111    HD1  HIS  14           HD1      HIS  14   0.696   8.315   8.315
  112    HD2  HIS  14           HD2      HIS  14   0.975   7.024   7.024
  113    HE1  HIS  14           HE1      HIS  14   0.354  10.360  10.360
  114    H    LEU  15           HN       LEU  15   3.410   3.906   3.906
  115    HA   LEU  15           HA       LEU  15   1.838   1.651   1.651
  116   1HB   LEU  15           HB2      LEU  15   4.732   2.205   2.205
  117   2HB   LEU  15           HB1      LEU  15   4.346   0.770   0.770
  118    HG   LEU  15           HG       LEU  15   3.123  -0.212  -0.212
  119   1HD1  LEU  15          HD11      LEU  15   1.845   1.850   1.850
  120   2HD1  LEU  15          HD13      LEU  15   3.282   2.409   2.409
  121   3HD1  LEU  15          HD12      LEU  15   2.466   0.943   0.943
  122   1HD2  LEU  15          HD22      LEU  15   5.560  -0.222  -0.222
  123   2HD2  LEU  15          HD21      LEU  15   4.718  -0.159  -0.159
  124   3HD2  LEU  15          HD23      LEU  15   5.450   1.301   1.301
  125    H    ASN  16           HN       ASN  16   3.749   3.984   3.984
  126    HA   ASN  16           HA       ASN  16   3.619   2.388   2.388
  127   1HB   ASN  16           HB2      ASN  16   5.032   4.755   4.755
  128   2HB   ASN  16           HB1      ASN  16   4.365   5.005   5.005
  129   1HD2  ASN  16          HD21      ASN  16   5.677   4.228   4.228
  130   2HD2  ASN  16          HD22      ASN  16   6.850   3.015   3.015
  131    H    SER  17           HN       SER  17   1.148   3.857   3.857
  132    HA   SER  17           HA       SER  17  -0.227   4.589   4.589
  133   1HB   SER  17           HB2      SER  17  -0.069   6.338   6.338
  134   2HB   SER  17           HB1      SER  17  -1.248   6.577   6.577
  135    HG   SER  17           HG       SER  17   1.529   6.941   6.941
  136    H    MET  18           HN       MET  18  -0.750   4.349   4.349
  137    HA   MET  18           HA       MET  18  -3.519   3.481   3.481
  138   1HB   MET  18           HB2      MET  18  -1.842   4.362   4.362
  139   2HB   MET  18           HB1      MET  18  -2.434   2.764   2.764
  140   1HG   MET  18           HG2      MET  18  -4.300   4.876   4.876
  141   2HG   MET  18           HG1      MET  18  -3.898   4.803   4.803
  142   1HE   MET  18           HE1      MET  18  -3.943   3.056   3.056
  143   2HE   MET  18           HE3      MET  18  -4.206   1.375   1.375
  144   3HE   MET  18           HE2      MET  18  -5.512   2.299   2.299
  145    H    GLU  19           HN       GLU  19  -0.435   1.766   1.766
  146    HA   GLU  19           HA       GLU  19  -1.762  -0.866  -0.866
  147   1HB   GLU  19           HB2      GLU  19   0.715   0.068   0.068
  148   2HB   GLU  19           HB1      GLU  19   1.082  -0.757  -0.757
  149   1HG   GLU  19           HG2      GLU  19   0.416  -2.837  -2.837
  150   2HG   GLU  19           HG1      GLU  19  -0.619  -2.133  -2.133
  151    H    ARG  20           HN       ARG  20  -2.612   0.574   0.574
  152    HA   ARG  20           HA       ARG  20  -1.982  -1.103  -1.103
  153   1HB   ARG  20           HB2      ARG  20  -1.868   1.940   1.940
  154   2HB   ARG  20           HB1      ARG  20  -1.664   0.950   0.950
  155   1HG   ARG  20           HG2      ARG  20   0.306  -0.152  -0.152
  156   2HG   ARG  20           HG1      ARG  20   0.150   1.188   1.188
  157   1HD   ARG  20           HD2      ARG  20   0.555   2.803   2.803
  158   2HD   ARG  20           HD1      ARG  20   0.574   1.518   1.518
  159    HE   ARG  20           HE       ARG  20   2.566   1.214   1.214
  160   1HH1  ARG  20          HH21      ARG  20   3.272   3.763   3.763
  161   2HH1  ARG  20          HH22      ARG  20   4.264   3.248   3.248
  162   1HH2  ARG  20          HH11      ARG  20   3.201  -0.072  -0.072
  163   2HH2  ARG  20          HH12      ARG  20   4.224   1.054   1.054
  164    H    VAL  21           HN       VAL  21  -3.566   1.863   1.863
  165    HA   VAL  21           HA       VAL  21  -5.843   2.160   2.160
  166    HB   VAL  21           HB       VAL  21  -5.244   3.733   3.733
  167   1HG1  VAL  21          HG13      VAL  21  -5.674   1.467   1.467
  168   2HG1  VAL  21          HG12      VAL  21  -5.268   3.122   3.122
  169   3HG1  VAL  21          HG11      VAL  21  -4.128   2.149   2.149
  170   1HG2  VAL  21          HG23      VAL  21  -7.764   3.343   3.343
  171   2HG2  VAL  21          HG22      VAL  21  -7.310   4.116   4.116
  172   3HG2  VAL  21          HG21      VAL  21  -7.725   2.403   2.403
  173    H    GLU  22           HN       GLU  22  -5.503  -0.197  -0.197
  174    HA   GLU  22           HA       GLU  22  -8.236  -0.974  -0.974
  175   1HB   GLU  22           HB2      GLU  22  -5.693  -2.027  -2.027
  176   2HB   GLU  22           HB1      GLU  22  -6.847  -3.310  -3.310
  177   1HG   GLU  22           HG2      GLU  22  -7.853  -0.895  -0.895
  178   2HG   GLU  22           HG1      GLU  22  -6.898  -2.068  -2.068
  179    H    TRP  23           HN       TRP  23  -5.753  -1.974  -1.974
  180    HA   TRP  23           HA       TRP  23  -6.986  -4.209  -4.209
  181   1HB   TRP  23           HB2      TRP  23  -4.678  -3.340  -3.340
  182   2HB   TRP  23           HB1      TRP  23  -5.346  -1.888  -1.888
  183    HD1  TRP  23           HD1      TRP  23  -4.026  -5.010  -5.010
  184    HE1  TRP  23           HE1      TRP  23  -4.494  -5.846  -5.846
  185    HE3  TRP  23           HE3      TRP  23  -7.614  -1.722  -1.722
  186    HZ2  TRP  23           HZ2      TRP  23  -6.197  -5.146  -5.146
  187    HZ3  TRP  23           HZ3      TRP  23  -8.649  -1.789  -1.789
  188    HH2  TRP  23           HH2      TRP  23  -7.948  -3.492  -3.492
  189    H    LEU  24           HN       LEU  24  -7.080  -0.780  -0.780
  190    HA   LEU  24           HA       LEU  24  -9.159  -0.766  -0.766
  191   1HB   LEU  24           HB2      LEU  24  -7.963   1.436   1.436
  192   2HB   LEU  24           HB1      LEU  24  -9.076   1.727   1.727
  193    HG   LEU  24           HG       LEU  24  -6.842   2.159   2.159
  194   1HD1  LEU  24          HD12      LEU  24  -8.375  -0.093  -0.093
  195   2HD1  LEU  24          HD11      LEU  24  -6.672  -0.139  -0.139
  196   3HD1  LEU  24          HD13      LEU  24  -7.648   1.275   1.275
  197   1HD2  LEU  24          HD23      LEU  24  -5.782   0.607   0.607
  198   2HD2  LEU  24          HD22      LEU  24  -4.972   0.736   0.736
  199   3HD2  LEU  24          HD21      LEU  24  -5.968  -0.670  -0.670
  200    H    ARG  25           HN       ARG  25  -9.049   0.054   0.054
  201    HA   ARG  25           HA       ARG  25 -11.745   0.885   0.885
  202   1HB   ARG  25           HB2      ARG  25  -9.876   0.955   0.955
  203   2HB   ARG  25           HB1      ARG  25 -10.091  -0.776  -0.776
  204   1HG   ARG  25           HG2      ARG  25 -12.487   1.019   1.019
  205   2HG   ARG  25           HG1      ARG  25 -11.333   0.964   0.964
  206   1HD   ARG  25           HD2      ARG  25 -11.664  -1.712  -1.712
  207   2HD   ARG  25           HD1      ARG  25 -13.272  -1.066  -1.066
  208    HE   ARG  25           HE       ARG  25 -13.288  -0.237  -0.237
  209   1HH1  ARG  25          HH21      ARG  25 -12.975  -3.230  -3.230
  210   2HH1  ARG  25          HH22      ARG  25 -11.668  -3.409  -3.409
  211   1HH2  ARG  25          HH11      ARG  25 -10.647  -0.086  -0.086
  212   2HH2  ARG  25          HH12      ARG  25 -10.341  -1.612  -1.612
  213    H    LYS  26           HN       LYS  26 -10.393  -2.465  -2.465
  214    HA   LYS  26           HA       LYS  26 -12.856  -3.805  -3.805
  215   1HB   LYS  26           HB2      LYS  26 -10.331  -4.710  -4.710
  216   2HB   LYS  26           HB1      LYS  26 -11.694  -5.800  -5.800
  217   1HG   LYS  26           HG2      LYS  26 -11.520  -5.641  -5.641
  218   2HG   LYS  26           HG1      LYS  26 -10.460  -4.234  -4.234
  219   1HD   LYS  26           HD2      LYS  26  -9.065  -6.120  -6.120
  220   2HD   LYS  26           HD1      LYS  26  -9.793  -7.096  -7.096
  221   1HE   LYS  26           HE2      LYS  26  -8.390  -4.508  -4.508
  222   2HE   LYS  26           HE1      LYS  26  -7.476  -5.998  -5.998
  223   1HZ   LYS  26           HZ1      LYS  26  -8.912  -7.025  -7.025
  224   2HZ   LYS  26           HZ3      LYS  26  -9.702  -5.540  -5.540
  225   3HZ   LYS  26           HZ2      LYS  26  -8.057  -5.690  -5.690
  226    H    LYS  27           HN       LYS  27 -11.359  -2.886  -2.886
  227    HA   LYS  27           HA       LYS  27 -13.330  -4.078  -4.078
  228   1HB   LYS  27           HB2      LYS  27 -11.149  -2.050  -2.050
  229   2HB   LYS  27           HB1      LYS  27 -12.422  -1.972  -1.972
  230   1HG   LYS  27           HG2      LYS  27 -10.445  -3.435  -3.435
  231   2HG   LYS  27           HG1      LYS  27 -12.009  -4.229  -4.229
  232   1HD   LYS  27           HD2      LYS  27 -11.555  -5.629  -5.629
  233   2HD   LYS  27           HD1      LYS  27 -10.583  -4.427  -4.427
  234   1HE   LYS  27           HE2      LYS  27  -9.046  -4.899  -4.899
  235   2HE   LYS  27           HE1      LYS  27  -9.758  -6.487  -6.487
  236   1HZ   LYS  27           HZ1      LYS  27  -8.371  -4.870  -4.870
  237   2HZ   LYS  27           HZ3      LYS  27  -7.668  -6.154  -6.154
  238   3HZ   LYS  27           HZ2      LYS  27  -8.975  -6.447  -6.447
  239    H    LEU  28           HN       LEU  28 -13.120  -0.950  -0.950
  240    HA   LEU  28           HA       LEU  28 -15.401   0.335   0.335
  241   1HB   LEU  28           HB2      LEU  28 -13.611   1.486   1.486
  242   2HB   LEU  28           HB1      LEU  28 -14.265   0.721   0.721
  243    HG   LEU  28           HG       LEU  28 -16.534   1.801   1.801
  244   1HD1  LEU  28          HD13      LEU  28 -15.533   2.675   2.675
  245   2HD1  LEU  28          HD12      LEU  28 -14.400   3.636   3.636
  246   3HD1  LEU  28          HD11      LEU  28 -16.127   3.985   3.985
  247   1HD2  LEU  28          HD23      LEU  28 -14.314   3.372   3.372
  248   2HD2  LEU  28          HD22      LEU  28 -15.436   2.273   2.273
  249   3HD2  LEU  28          HD21      LEU  28 -16.032   3.763   3.763
  250    H    GLN  29           HN       GLN  29 -15.018  -1.861  -1.861
  251    HA   GLN  29           HA       GLN  29 -17.625  -1.686  -1.686
  252   1HB   GLN  29           HB2      GLN  29 -15.820  -4.110  -4.110
  253   2HB   GLN  29           HB1      GLN  29 -17.203  -3.929  -3.929
  254   1HG   GLN  29           HG2      GLN  29 -16.103  -1.910  -1.910
  255   2HG   GLN  29           HG1      GLN  29 -14.699  -2.220  -2.220
  256   1HE2  GLN  29          HE21      GLN  29 -14.325  -4.998  -4.998
  257   2HE2  GLN  29          HE22      GLN  29 -14.075  -5.399  -5.399
  258    H    ASP  30           HN       ASP  30 -16.515  -3.370  -3.370
  259    HA   ASP  30           HA       ASP  30 -19.282  -4.321  -4.321
  260   1HB   ASP  30           HB2      ASP  30 -17.187  -5.976  -5.976
  261   2HB   ASP  30           HB1      ASP  30 -16.974  -5.780  -5.780
  262    H    VAL  31           HN       VAL  31 -18.129  -5.164  -5.164
  263    HA   VAL  31           HA       VAL  31 -17.848  -4.284  -4.284
  264    HB   VAL  31           HB       VAL  31 -16.717  -1.889  -1.889
  265   1HG1  VAL  31          HG12      VAL  31 -16.696  -2.648  -2.648
  266   2HG1  VAL  31          HG11      VAL  31 -15.604  -1.453  -1.453
  267   3HG1  VAL  31          HG13      VAL  31 -17.345  -1.173  -1.173
  268   1HG2  VAL  31          HG23      VAL  31 -15.478  -3.999  -3.999
  269   2HG2  VAL  31          HG22      VAL  31 -14.542  -2.883  -2.883
  270   3HG2  VAL  31          HG21      VAL  31 -15.378  -4.245  -4.245
  271    H    HIS  32           HN       HIS  32 -18.677  -1.284  -1.284
  272    HA   HIS  32           HA       HIS  32 -20.948  -0.923  -0.923
  273   1HB   HIS  32           HB2      HIS  32 -21.173   1.349   1.349
  274   2HB   HIS  32           HB1      HIS  32 -19.631   1.064   1.064
  275    HD1  HIS  32           HD1      HIS  32 -21.120   1.965   1.965
  276    HD2  HIS  32           HD2      HIS  32 -17.458   0.479   0.479
  277    HE1  HIS  32           HE1      HIS  32 -19.460   2.376   2.376
  278    H    ASN  33           HN       ASN  33 -20.436  -1.823  -1.823
  279    HA   ASN  33           HA       ASN  33 -23.123  -1.275  -1.275
  280   1HB   ASN  33           HB2      ASN  33 -20.897  -3.075  -3.075
  281   2HB   ASN  33           HB1      ASN  33 -22.471  -3.028  -3.028
  282   1HD2  ASN  33          HD21      ASN  33 -19.542  -1.127  -1.127
  283   2HD2  ASN  33          HD22      ASN  33 -19.904   0.110   0.110
  284    H    PHE  34           HN       PHE  34 -21.524  -4.170  -4.170
  285    HA   PHE  34           HA       PHE  34 -24.236  -5.403  -5.403
  286   1HB   PHE  34           HB2      PHE  34 -21.591  -6.816  -6.816
  287   2HB   PHE  34           HB1      PHE  34 -23.120  -7.620  -7.620
  288    HD1  PHE  34           HD1      PHE  34 -21.262  -5.564  -5.564
  289    HD2  PHE  34           HD2      PHE  34 -24.857  -7.783  -7.783
  290    HE1  PHE  34           HE1      PHE  34 -21.846  -5.457  -5.457
  291    HE2  PHE  34           HE2      PHE  34 -25.441  -7.676  -7.676
  292    HZ   PHE  34           HZ       PHE  34 -23.935  -6.513  -6.513

  Start of MODEL   10
    1   1H    SER   1           HT1      SER   1  16.361   9.452   9.452
    2   2H    SER   1           HT3      SER   1  17.699   9.497   9.497
    3   3H    SER   1           HT2      SER   1  17.935   9.482   9.482
    4    HA   SER   1           HA       SER   1  17.215  11.663  11.663
    5   1HB   SER   1           HB2      SER   1  18.605  12.957  12.957
    6   2HB   SER   1           HB1      SER   1  19.441  11.483  11.483
    7    HG   SER   1           HG       SER   1  18.554  12.297  12.297
    8    H    VAL   2           HN       VAL   2  16.554  13.766  13.766
    9    HA   VAL   2           HA       VAL   2  13.965  13.040  13.040
   10    HB   VAL   2           HB       VAL   2  14.049  14.732  14.732
   11   1HG1  VAL   2          HG13      VAL   2  16.170  15.847  15.847
   12   2HG1  VAL   2          HG12      VAL   2  15.367  16.499  16.499
   13   3HG1  VAL   2          HG11      VAL   2  14.847  16.998  16.998
   14   1HG2  VAL   2          HG21      VAL   2  12.249  14.628  14.628
   15   2HG2  VAL   2          HG23      VAL   2  12.402  16.164  16.164
   16   3HG2  VAL   2          HG22      VAL   2  13.079  15.984  15.984
   17    H    SER   3           HN       SER   3  13.309  13.948  13.948
   18    HA   SER   3           HA       SER   3  13.521  14.576  14.576
   19   1HB   SER   3           HB2      SER   3  16.136  15.887  15.887
   20   2HB   SER   3           HB1      SER   3  15.212  16.202  16.202
   21    HG   SER   3           HG       SER   3  14.831  17.106  17.106
   22    H    GLU   4           HN       GLU   4  13.803  12.920  12.920
   23    HA   GLU   4           HA       GLU   4  14.871  11.476  11.476
   24   1HB   GLU   4           HB2      GLU   4  17.057  13.041  13.041
   25   2HB   GLU   4           HB1      GLU   4  17.562  11.410  11.410
   26   1HG   GLU   4           HG2      GLU   4  18.217  11.613  11.613
   27   2HG   GLU   4           HG1      GLU   4  16.693  10.733  10.733
   28    H    ILE   5           HN       ILE   5  15.868  11.276  11.276
   29    HA   ILE   5           HA       ILE   5  15.750   8.308   8.308
   30    HB   ILE   5           HB       ILE   5  16.379  10.111  10.111
   31   1HG1  ILE   5          HG12      ILE   5  18.066  10.515  10.515
   32   2HG1  ILE   5          HG11      ILE   5  18.776   9.513   9.513
   33   1HG2  ILE   5          HG21      ILE   5  16.453   7.148   7.148
   34   2HG2  ILE   5          HG23      ILE   5  17.615   7.860   7.860
   35   3HG2  ILE   5          HG22      ILE   5  15.885   8.031   8.031
   36   1HD1  ILE   5          HD11      ILE   5  18.087   7.502   7.502
   37   2HD1  ILE   5          HD13      ILE   5  17.907   8.706   8.706
   38   3HD1  ILE   5          HD12      ILE   5  19.473   8.470   8.470
   39    H    GLN   6           HN       GLN   6  14.085  11.123  11.123
   40    HA   GLN   6           HA       GLN   6  12.101   9.610   9.610
   41   1HB   GLN   6           HB2      GLN   6  12.747  12.295  12.295
   42   2HB   GLN   6           HB1      GLN   6  11.208  12.215  12.215
   43   1HG   GLN   6           HG2      GLN   6  10.537  12.567  12.567
   44   2HG   GLN   6           HG1      GLN   6  10.433  10.813  10.813
   45   1HE2  GLN   6          HE21      GLN   6  11.929  13.377  13.377
   46   2HE2  GLN   6          HE22      GLN   6  13.028  12.418  12.418
   47    H    LEU   7           HN       LEU   7  12.189  11.040  11.040
   48    HA   LEU   7           HA       LEU   7   9.567  10.218  10.218
   49   1HB   LEU   7           HB2      LEU   7  10.831  11.898  11.898
   50   2HB   LEU   7           HB1      LEU   7  12.146  10.764  10.764
   51    HG   LEU   7           HG       LEU   7   9.528   9.783   9.783
   52   1HD1  LEU   7          HD11      LEU   7  10.788  12.230  12.230
   53   2HD1  LEU   7          HD13      LEU   7   9.477  11.276  11.276
   54   3HD1  LEU   7          HD12      LEU   7   9.216  12.173  12.173
   55   1HD2  LEU   7          HD23      LEU   7  11.807   8.788   8.788
   56   2HD2  LEU   7          HD22      LEU   7  10.863   9.121   9.121
   57   3HD2  LEU   7          HD21      LEU   7  12.167  10.211  10.211
   58    H    MET   8           HN       MET   8  12.780   8.639   8.639
   59    HA   MET   8           HA       MET   8  12.023   6.269   6.269
   60   1HB   MET   8           HB2      MET   8  14.380   6.956   6.956
   61   2HB   MET   8           HB1      MET   8  14.174   6.636   6.636
   62   1HG   MET   8           HG2      MET   8  13.346   4.260   4.260
   63   2HG   MET   8           HG1      MET   8  14.659   4.760   4.760
   64   1HE   MET   8           HE2      MET   8  13.402   3.564   3.564
   65   2HE   MET   8           HE1      MET   8  14.752   3.483   3.483
   66   3HE   MET   8           HE3      MET   8  13.982   5.035   5.035
   67    H    HIS   9           HN       HIS   9  12.028   7.034   7.034
   68    HA   HIS   9           HA       HIS   9  10.992   4.407   4.407
   69   1HB   HIS   9           HB2      HIS   9  12.470   6.162   6.162
   70   2HB   HIS   9           HB1      HIS   9  10.894   6.792   6.792
   71    HD1  HIS   9           HD1      HIS   9  12.953   3.606   3.606
   72    HD2  HIS   9           HD2      HIS   9   9.531   5.222   5.222
   73    HE1  HIS   9           HE1      HIS   9  12.266   2.010   2.010
   74    H    ASN  10           HN       ASN  10   9.484   7.293   7.293
   75    HA   ASN  10           HA       ASN  10   7.096   7.513   7.513
   76   1HB   ASN  10           HB2      ASN  10   7.970   8.237   8.237
   77   2HB   ASN  10           HB1      ASN  10   6.238   7.973   7.973
   78   1HD2  ASN  10          HD21      ASN  10   5.064   9.295   9.295
   79   2HD2  ASN  10          HD22      ASN  10   5.719  10.782  10.782
   80    H    LEU  11           HN       LEU  11   7.818   5.121   5.121
   81    HA   LEU  11           HA       LEU  11   5.137   4.030   4.030
   82   1HB   LEU  11           HB2      LEU  11   6.958   3.654   3.654
   83   2HB   LEU  11           HB1      LEU  11   7.705   2.527   2.527
   84    HG   LEU  11           HG       LEU  11   5.431   1.330   1.330
   85   1HD1  LEU  11          HD13      LEU  11   5.014   3.128   3.128
   86   2HD1  LEU  11          HD12      LEU  11   4.055   1.682   1.682
   87   3HD1  LEU  11          HD11      LEU  11   4.012   3.034   3.034
   88   1HD2  LEU  11          HD22      LEU  11   7.005   1.423   1.423
   89   2HD2  LEU  11          HD21      LEU  11   7.340   0.392   0.392
   90   3HD2  LEU  11          HD23      LEU  11   5.873   0.145   0.145
   91    H    GLY  12           HN       GLY  12   8.056   3.123   3.123
   92   1HA   GLY  12           HA2      GLY  12   6.885   0.864   0.864
   93   2HA   GLY  12           HA1      GLY  12   8.259   1.791   1.791
   94    H    LYS  13           HN       LYS  13   6.934   4.375   4.375
   95    HA   LYS  13           HA       LYS  13   5.620   4.220   4.220
   96   1HB   LYS  13           HB2      LYS  13   6.032   6.391   6.391
   97   2HB   LYS  13           HB1      LYS  13   4.894   6.660   6.660
   98   1HG   LYS  13           HG2      LYS  13   7.599   5.573   5.573
   99   2HG   LYS  13           HG1      LYS  13   7.482   7.276   7.276
  100   1HD   LYS  13           HD2      LYS  13   7.074   7.463   7.463
  101   2HD   LYS  13           HD1      LYS  13   5.422   7.193   7.193
  102   1HE   LYS  13           HE2      LYS  13   6.773   4.653   4.653
  103   2HE   LYS  13           HE1      LYS  13   6.877   5.633   5.633
  104   1HZ   LYS  13           HZ3      LYS  13   4.475   5.950   5.950
  105   2HZ   LYS  13           HZ2      LYS  13   4.377   4.998   4.998
  106   3HZ   LYS  13           HZ1      LYS  13   4.864   4.302   4.302
  107    H    HIS  14           HN       HIS  14   4.463   4.497   4.497
  108    HA   HIS  14           HA       HIS  14   1.641   4.720   4.720
  109   1HB   HIS  14           HB2      HIS  14   2.588   5.185   5.185
  110   2HB   HIS  14           HB1      HIS  14   3.184   3.542   3.542
  111    HD1  HIS  14           HD1      HIS  14  -0.281   4.940   4.940
  112    HD2  HIS  14           HD2      HIS  14   1.543   2.240   2.240
  113    HE1  HIS  14           HE1      HIS  14  -2.145   3.866   3.866
  114    H    LEU  15           HN       LEU  15   3.895   1.974   1.974
  115    HA   LEU  15           HA       LEU  15   1.779  -0.060  -0.060
  116   1HB   LEU  15           HB2      LEU  15   4.787  -0.137  -0.137
  117   2HB   LEU  15           HB1      LEU  15   3.890  -1.574  -1.574
  118    HG   LEU  15           HG       LEU  15   2.966  -1.829  -1.829
  119   1HD1  LEU  15          HD12      LEU  15   3.161   1.162   1.162
  120   2HD1  LEU  15          HD11      LEU  15   2.437  -0.016  -0.016
  121   3HD1  LEU  15          HD13      LEU  15   1.697   0.306   0.306
  122   1HD2  LEU  15          HD22      LEU  15   5.414  -1.777  -1.777
  123   2HD2  LEU  15          HD21      LEU  15   4.601  -1.198  -1.198
  124   3HD2  LEU  15          HD23      LEU  15   5.339  -0.048  -0.048
  125    H    ASN  16           HN       ASN  16   1.973   1.854   1.854
  126    HA   ASN  16           HA       ASN  16   2.449   0.152   0.152
  127   1HB   ASN  16           HB2      ASN  16   4.721   1.132   1.132
  128   2HB   ASN  16           HB1      ASN  16   4.031   2.734   2.734
  129   1HD2  ASN  16          HD21      ASN  16   4.154  -0.433  -0.433
  130   2HD2  ASN  16          HD22      ASN  16   4.373   0.286   0.286
  131    H    SER  17           HN       SER  17   2.013   3.594   3.594
  132    HA   SER  17           HA       SER  17   0.159   4.151   4.151
  133   1HB   SER  17           HB2      SER  17   1.731   5.782   5.782
  134   2HB   SER  17           HB1      SER  17   0.254   5.919   5.919
  135    HG   SER  17           HG       SER  17  -0.756   6.818   6.818
  136    H    MET  18           HN       MET  18  -0.147   3.848   3.848
  137    HA   MET  18           HA       MET  18  -3.096   3.662   3.662
  138   1HB   MET  18           HB2      MET  18  -1.080   3.761   3.761
  139   2HB   MET  18           HB1      MET  18  -2.656   3.053   3.053
  140   1HG   MET  18           HG2      MET  18  -3.037   5.302   5.302
  141   2HG   MET  18           HG1      MET  18  -3.581   5.211   5.211
  142   1HE   MET  18           HE2      MET  18  -2.435   6.051   6.051
  143   2HE   MET  18           HE1      MET  18  -1.615   7.605   7.605
  144   3HE   MET  18           HE3      MET  18  -3.213   7.384   7.384
  145    H    GLU  19           HN       GLU  19  -0.607   1.450   1.450
  146    HA   GLU  19           HA       GLU  19  -2.035  -0.927  -0.927
  147   1HB   GLU  19           HB2      GLU  19   0.328  -1.136  -1.136
  148   2HB   GLU  19           HB1      GLU  19   0.651  -0.407  -0.407
  149   1HG   GLU  19           HG2      GLU  19  -0.917  -2.884  -2.884
  150   2HG   GLU  19           HG1      GLU  19   0.656  -3.128  -3.128
  151    H    ARG  20           HN       ARG  20  -1.048   0.667   0.667
  152    HA   ARG  20           HA       ARG  20  -2.129  -1.059  -1.059
  153   1HB   ARG  20           HB2      ARG  20  -0.663   0.908   0.908
  154   2HB   ARG  20           HB1      ARG  20  -1.977   1.969   1.969
  155   1HG   ARG  20           HG2      ARG  20  -1.774   1.765   1.765
  156   2HG   ARG  20           HG1      ARG  20  -3.339   1.242   1.242
  157   1HD   ARG  20           HD2      ARG  20  -2.805  -1.061  -1.061
  158   2HD   ARG  20           HD1      ARG  20  -1.085  -0.723  -0.723
  159    HE   ARG  20           HE       ARG  20  -1.852   0.483   0.483
  160   1HH1  ARG  20          HH21      ARG  20  -1.764  -2.670  -2.670
  161   2HH1  ARG  20          HH22      ARG  20  -3.162  -3.058  -3.058
  162   1HH2  ARG  20          HH11      ARG  20  -4.395   0.198   0.198
  163   2HH2  ARG  20          HH12      ARG  20  -4.664  -1.427  -1.427
  164    H    VAL  21           HN       VAL  21  -3.474   1.915   1.915
  165    HA   VAL  21           HA       VAL  21  -5.895   2.283   2.283
  166    HB   VAL  21           HB       VAL  21  -5.068   3.774   3.774
  167   1HG1  VAL  21          HG13      VAL  21  -5.336   1.430   1.430
  168   2HG1  VAL  21          HG12      VAL  21  -4.842   3.051   3.051
  169   3HG1  VAL  21          HG11      VAL  21  -3.841   2.106   2.106
  170   1HG2  VAL  21          HG23      VAL  21  -7.635   3.437   3.437
  171   2HG2  VAL  21          HG22      VAL  21  -6.982   4.183   4.183
  172   3HG2  VAL  21          HG21      VAL  21  -7.437   2.480   2.480
  173    H    GLU  22           HN       GLU  22  -5.313  -0.218  -0.218
  174    HA   GLU  22           HA       GLU  22  -8.064  -0.950  -0.950
  175   1HB   GLU  22           HB2      GLU  22  -5.452  -2.050  -2.050
  176   2HB   GLU  22           HB1      GLU  22  -6.654  -3.307  -3.307
  177   1HG   GLU  22           HG2      GLU  22  -7.524  -0.934  -0.934
  178   2HG   GLU  22           HG1      GLU  22  -6.467  -2.100  -2.100
  179    H    TRP  23           HN       TRP  23  -5.680  -2.021  -2.021
  180    HA   TRP  23           HA       TRP  23  -6.975  -4.162  -4.162
  181   1HB   TRP  23           HB2      TRP  23  -4.667  -3.212  -3.212
  182   2HB   TRP  23           HB1      TRP  23  -5.406  -1.803  -1.803
  183    HD1  TRP  23           HD1      TRP  23  -4.058  -4.964  -4.964
  184    HE1  TRP  23           HE1      TRP  23  -4.468  -5.762  -5.762
  185    HE3  TRP  23           HE3      TRP  23  -7.542  -1.593  -1.593
  186    HZ2  TRP  23           HZ2      TRP  23  -6.090  -4.986  -4.986
  187    HZ3  TRP  23           HZ3      TRP  23  -8.505  -1.600  -1.600
  188    HH2  TRP  23           HH2      TRP  23  -7.784  -3.288  -3.288
  189    H    LEU  24           HN       LEU  24  -7.038  -0.717  -0.717
  190    HA   LEU  24           HA       LEU  24  -9.128  -0.661  -0.661
  191   1HB   LEU  24           HB2      LEU  24  -7.964   1.525   1.525
  192   2HB   LEU  24           HB1      LEU  24  -9.070   1.819   1.819
  193    HG   LEU  24           HG       LEU  24  -6.844   2.296   2.296
  194   1HD1  LEU  24          HD12      LEU  24  -8.336   0.049   0.049
  195   2HD1  LEU  24          HD11      LEU  24  -6.623  -0.025  -0.025
  196   3HD1  LEU  24          HD13      LEU  24  -7.564   1.400   1.400
  197   1HD2  LEU  24          HD23      LEU  24  -5.803   0.716   0.716
  198   2HD2  LEU  24          HD22      LEU  24  -4.943   0.959   0.959
  199   3HD2  LEU  24          HD21      LEU  24  -5.886  -0.506  -0.506
  200    H    ARG  25           HN       ARG  25  -9.017   0.143   0.143
  201    HA   ARG  25           HA       ARG  25 -11.722   0.926   0.926
  202   1HB   ARG  25           HB2      ARG  25  -9.907   1.021   1.021
  203   2HB   ARG  25           HB1      ARG  25 -10.004  -0.729  -0.729
  204   1HG   ARG  25           HG2      ARG  25 -12.587   0.708   0.708
  205   2HG   ARG  25           HG1      ARG  25 -11.416   1.024   1.024
  206   1HD   ARG  25           HD2      ARG  25 -11.236  -1.724  -1.724
  207   2HD   ARG  25           HD1      ARG  25 -12.952  -1.414  -1.414
  208    HE   ARG  25           HE       ARG  25 -13.025  -0.436  -0.436
  209   1HH1  ARG  25          HH11      ARG  25 -10.145   0.348   0.348
  210   2HH1  ARG  25          HH12      ARG  25  -9.530  -0.864  -0.864
  211   1HH2  ARG  25          HH21      ARG  25 -12.225  -3.022  -3.022
  212   2HH2  ARG  25          HH22      ARG  25 -10.715  -2.790  -2.790
  213    H    LYS  26           HN       LYS  26 -10.355  -2.379  -2.379
  214    HA   LYS  26           HA       LYS  26 -12.776  -3.819  -3.819
  215   1HB   LYS  26           HB2      LYS  26 -10.217  -4.565  -4.565
  216   2HB   LYS  26           HB1      LYS  26 -10.665  -4.964  -4.964
  217   1HG   LYS  26           HG2      LYS  26 -12.081  -6.000  -6.000
  218   2HG   LYS  26           HG1      LYS  26 -10.870  -6.898  -6.898
  219   1HD   LYS  26           HD2      LYS  26 -13.591  -6.011  -6.011
  220   2HD   LYS  26           HD1      LYS  26 -13.083  -7.656  -7.656
  221   1HE   LYS  26           HE2      LYS  26 -11.728  -7.772  -7.772
  222   2HE   LYS  26           HE1      LYS  26 -11.571  -6.022  -6.022
  223   1HZ   LYS  26           HZ3      LYS  26 -13.947  -5.909  -5.909
  224   2HZ   LYS  26           HZ2      LYS  26 -14.029  -7.606  -7.606
  225   3HZ   LYS  26           HZ1      LYS  26 -13.063  -6.820  -6.820
  226    H    LYS  27           HN       LYS  27 -11.250  -2.893  -2.893
  227    HA   LYS  27           HA       LYS  27 -13.044  -4.141  -4.141
  228   1HB   LYS  27           HB2      LYS  27 -11.155  -1.858  -1.858
  229   2HB   LYS  27           HB1      LYS  27 -12.434  -1.840  -1.840
  230   1HG   LYS  27           HG2      LYS  27 -10.547  -3.050  -3.050
  231   2HG   LYS  27           HG1      LYS  27 -11.833  -4.203  -4.203
  232   1HD   LYS  27           HD2      LYS  27 -10.727  -4.716  -4.716
  233   2HD   LYS  27           HD1      LYS  27  -9.393  -3.676  -3.676
  234   1HE   LYS  27           HE2      LYS  27  -9.100  -5.116  -5.116
  235   2HE   LYS  27           HE1      LYS  27 -10.321  -6.201  -6.201
  236   1HZ   LYS  27           HZ2      LYS  27  -7.960  -5.445  -5.445
  237   2HZ   LYS  27           HZ1      LYS  27  -7.878  -6.709  -6.709
  238   3HZ   LYS  27           HZ3      LYS  27  -8.973  -6.799  -6.799
  239    H    LEU  28           HN       LEU  28 -13.234  -0.709  -0.709
  240    HA   LEU  28           HA       LEU  28 -15.860  -0.261  -0.261
  241   1HB   LEU  28           HB2      LEU  28 -15.946   1.742   1.742
  242   2HB   LEU  28           HB1      LEU  28 -14.470   1.653   1.653
  243    HG   LEU  28           HG       LEU  28 -13.741   0.306   0.306
  244   1HD1  LEU  28          HD12      LEU  28 -15.926   0.978   0.978
  245   2HD1  LEU  28          HD11      LEU  28 -15.441   2.664   2.664
  246   3HD1  LEU  28          HD13      LEU  28 -14.517   1.587   1.587
  247   1HD2  LEU  28          HD23      LEU  28 -13.518   3.249   3.249
  248   2HD2  LEU  28          HD22      LEU  28 -12.367   1.974   1.974
  249   3HD2  LEU  28          HD21      LEU  28 -12.586   2.469   2.469
  250    H    GLN  29           HN       GLN  29 -14.812  -1.710  -1.710
  251    HA   GLN  29           HA       GLN  29 -17.234  -1.542  -1.542
  252   1HB   GLN  29           HB2      GLN  29 -14.755  -2.577  -2.577
  253   2HB   GLN  29           HB1      GLN  29 -15.705  -4.044  -4.044
  254   1HG   GLN  29           HG2      GLN  29 -16.225  -3.727  -3.727
  255   2HG   GLN  29           HG1      GLN  29 -17.357  -2.519  -2.519
  256   1HE2  GLN  29          HE21      GLN  29 -15.844  -0.293  -0.293
  257   2HE2  GLN  29          HE22      GLN  29 -14.929   0.190   0.190
  258    H    ASP  30           HN       ASP  30 -16.260  -3.728  -3.728
  259    HA   ASP  30           HA       ASP  30 -18.728  -5.376  -5.376
  260   1HB   ASP  30           HB2      ASP  30 -16.146  -5.655  -5.655
  261   2HB   ASP  30           HB1      ASP  30 -17.542  -6.657  -6.657
  262    H    VAL  31           HN       VAL  31 -18.905  -2.636  -2.636
  263    HA   VAL  31           HA       VAL  31 -19.959  -1.361  -1.361
  264    HB   VAL  31           HB       VAL  31 -20.775  -4.004  -4.004
  265   1HG1  VAL  31          HG13      VAL  31 -21.723  -1.143  -1.143
  266   2HG1  VAL  31          HG12      VAL  31 -22.825  -2.474  -2.474
  267   3HG1  VAL  31          HG11      VAL  31 -21.360  -2.271  -2.271
  268   1HG2  VAL  31          HG23      VAL  31 -22.055  -2.418  -2.418
  269   2HG2  VAL  31          HG22      VAL  31 -21.458  -4.076  -4.076
  270   3HG2  VAL  31          HG21      VAL  31 -22.880  -3.696  -3.696
  271    H    HIS  32           HN       HIS  32 -17.302  -1.579  -1.579
  272    HA   HIS  32           HA       HIS  32 -15.482  -1.303  -1.303
  273   1HB   HIS  32           HB2      HIS  32 -17.632  -0.826  -0.826
  274   2HB   HIS  32           HB1      HIS  32 -15.937  -0.360  -0.360
  275    HD1  HIS  32           HD1      HIS  32 -15.195   1.765   1.765
  276    HD2  HIS  32           HD2      HIS  32 -19.091   0.642   0.642
  277    HE1  HIS  32           HE1      HIS  32 -16.161   3.660   3.660
  278    H    ASN  33           HN       ASN  33 -16.323  -4.017  -4.017
  279    HA   ASN  33           HA       ASN  33 -15.922  -5.361  -5.361
  280   1HB   ASN  33           HB2      ASN  33 -17.004  -6.193  -6.193
  281   2HB   ASN  33           HB1      ASN  33 -16.152  -7.424  -7.424
  282   1HD2  ASN  33          HD21      ASN  33 -18.747  -4.928  -4.928
  283   2HD2  ASN  33          HD22      ASN  33 -19.624  -5.858  -5.858
  284    H    PHE  34           HN       PHE  34 -13.980  -6.221  -6.221
  285    HA   PHE  34           HA       PHE  34 -11.725  -5.865  -5.865
  286   1HB   PHE  34           HB2      PHE  34 -11.834  -6.666  -6.666
  287   2HB   PHE  34           HB1      PHE  34 -10.338  -6.500  -6.500
  288    HD1  PHE  34           HD1      PHE  34 -13.302  -4.658  -4.658
  289    HD2  PHE  34           HD2      PHE  34  -9.450  -4.340  -4.340
  290    HE1  PHE  34           HE1      PHE  34 -13.322  -2.209  -2.209
  291    HE2  PHE  34           HE2      PHE  34  -9.470  -1.889  -1.889
  292    HZ   PHE  34           HZ       PHE  34 -11.406  -0.824  -0.824